About N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate
N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate (PubChem CID 158724583) has the molecular formula C173H236ClN24O25S8+3
and a molecular weight of 3343.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate.
Frequently Asked Questions
What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate (CID 158724583) is N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate is CCCCCCCCCCCCCCCCCCN1C(/C(=N/c2ccc(N(CC)CCNS(C)(=O)=O)cc2C)C(=O)Nc2cc(Cl)ccc2OC)=Nc2ccccc2S1(=O)=O.CCCCCCCCCCCCCCCCN1C(/C(=N/c2ccc([N+]3(CC)CC3NS(C)(=O)=O)cc2C)C(=O)Nc2ccccc2OC)=Nc2ccccc2S1(=O)=O.CCCCCCCCCCCCCCOC(=O)c1ccc(C)c(NC(=O)/C(=N\c2ccc([N+]3(CC)CC3NS(C)(=O)=O)cc2C)C2=Nc3ccccc3S(=O)(=O)N2C)c1.CC[N+]1(c2ccc(/N=C(\C(=O)Nc3ccccc3C)C3=Nc4ccccc4S(=O)(=O)N3CCCOc3ccc(C)cc3C)c(C)c2)CC1NS(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate?
The InChIKey is SDLYQSZMVAGKEQ-WZYYRLPSSA-Q. The full InChI is InChI=1S/C46H67ClN6O6S2.C44H60N6O7S2.C44H62N6O6S2.C39H44N6O6S2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-53-45(50-40-25-22-23-26-43(40)61(53,57)58)44(46(54)51-41-35-37(47)27-30-42(41)59-4)49-39-29-28-38(34-36(39)3)52(7-2)33-31-48-60(5,55)56;1-7-9-10-11-12-13-14-15-16-17-18-21-28-57-44(52)34-25-24-32(3)38(30-34)47-43(51)41(42-46-37-22-19-20-23-39(37)59(55,56)49(42)5)45-36-27-26-35(29-33(36)4)50(8-2)31-40(50)48-58(6,53)54;1-6-8-9-10-11-12-13-14-15-16-17-18-19-24-31-49-43(46-38-26-21-23-28-40(38)58(49,54)55)42(44(51)47-37-25-20-22-27-39(37)56-4)45-36-30-29-35(32-34(36)3)50(7-2)33-41(50)48-57(5,52)53;1-7-45(25-36(45)43-52(6,47)48)30-18-19-32(28(4)24-30)40-37(39(46)42-31-14-9-8-13-27(31)3)38-41-33-15-10-11-16-35(33)53(49,50)44(38)21-12-22-51-34-20-17-26(2)23-29(34)5/h22-23,25-30,34-35,48H,6-21,24,31-33H2,1-5H3,(H,51,54);19-20,22-27,29-30,40,48H,7-18,21,28,31H2,1-6H3;20-23,25-30,32,41,48H,6-19,24,31,33H2,1-5H3;8-11,13-20,23-24,36,43H,7,12,21-22,25H2,1-6H3/p+3/b49-44-;45-41-;45-42-;40-37-.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate?
N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate has a molecular weight of 3343.92 g/mol, XLogP of 34.39, 87 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-N-(2-methylphenyl)acetamide;2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-hexadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methoxyphenyl)acetamide;tetradecyl 3-[[2-[4-[1-ethyl-2-(methanesulfonamido)aziridin-1-ium-1-yl]-2-methylphenyl]imino-2-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 158724583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).