About 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid
2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid (PubChem CID 158075620) has the molecular formula C148H137Cl8F3N10O27S9
and a molecular weight of 3116.99 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid (CID 158075620) is 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid is C=Cc1cc(SOOC)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3.CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O.CC(c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC2CC(=O)O.CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3.CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3=O.CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid?
The InChIKey is FMIHTZRBKJRQJD-CFSDCKBFSA-N. The full InChI is InChI=1S/C23H22ClNO4S.2C22H21ClFNO4S.C21H20Cl2N2O2S.C21H17ClFNO5S.C20H19ClN2O4S2.C19H17ClN2O4S2/c1-3-15-10-18(30-29-28-2)12-20-19-9-6-16(11-21(26)27)23(19)25(22(15)20)13-14-4-7-17(24)8-5-14;1-12(13-3-6-15(23)7-4-13)25-21-14(9-20(26)27)5-8-17(21)18-10-16(24)11-19(22(18)25)30(2,28)29;1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13;1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13;1-30(28,29)17-9-14(23)8-15-19-16(25)6-12(7-18(26)27)20(19)24(21(15)17)10-11-2-4-13(22)5-3-11;1-29(26,27)15-8-9-22-20-17(15)19(28-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20;1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h3-5,7-8,10,12,16H,1,6,9,11,13H2,2H3,(H,26,27);3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H,26,27);5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27);3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27);2-5,8-9,12H,6-7,10H2,1H3,(H,26,27);4-9,12H,2-3,10-11H2,1H3,(H,24,25);2-6,8,11H,7,9-10H2,1H3,(H,23,24)/t;;;;12-;;/m....1../s1.
What are the key properties of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid?
2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid has a molecular weight of 3116.99 g/mol, XLogP of 35.22, 38 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid is sourced from PubChem (CID 158075620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).