About 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid (PubChem CID 157084874) has the molecular formula C147H141Cl6F2N11O27S11
and a molecular weight of 3097.25 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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid (CID 157084874) is 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid is C=Cc1cc(SOOC)cc2c3c(n(Cc4ccc(C)cc4)c12)C(CC=O)CC3.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)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1cncc2c1c(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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid?
The InChIKey is ADYZBMPCYNLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S.2C22H21ClFNO4S.C20H18Cl2N2O4S2.C20H19ClN2O4S2.C20H20N2O4S2.C19H17ClN2O4S2/c1-4-18-13-20(29-28-27-3)14-22-21-10-9-19(11-12-26)24(21)25(23(18)22)15-17-7-5-16(2)6-8-17;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;1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20;1-29(26,27)16-11-22-10-15-18(16)20(28-14-6-4-13(21)5-7-14)19-12(9-17(24)25)3-2-8-23(15)19;1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(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/h4-8,12-14,19H,1,9-11,15H2,2-3H3;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);4-7,10-11H,2-3,8-9H2,1H3,(H,25,26);4-7,10-12H,2-3,8-9H2,1H3,(H,24,25);2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24);2-6,8,11H,7,9-10H2,1H3,(H,23,24).
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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid has a molecular weight of 3097.25 g/mol, XLogP of 33.57, 38 rotatable bonds, 6 hydrogen bond donors, and 37 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-[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[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[5-ethenyl-7-methylperoxysulfanyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetaldehyde;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid is sourced from PubChem (CID 157084874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).