4-[[5-chloranyl-1-(diphenylmethyl)-2-[2-[(phenylmethyl)sulfonylamino]ethyl]indol-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-1-(diphenylmethyl)-2-[2-[(phenylmethyl)sulfonylamino]ethyl]indol-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-benzhydryl-2-[2-(benzylsulfonylamino)ethyl]-5-chloro-indol-3-yl]methyl]benzoic acid CAS Name: 4-[[5-chloro-1-(diphenylmethyl)-2-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 4-[[1-benzhydryl-2-[2-(benzylsulfonylamino)ethyl]-5-chloroindol-3-yl]methyl]benzoic acid Traditional Name: 4-[[1-benzhydryl-2-[2-(benzylsulfonylamino)ethyl]-5-chloro-indol-3-yl]methyl]benzoic acid Formula: C38H33ClN2O4S MolecularWeight: 649.19762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C38H33ClN2O4S/c39-32-20-21-35-34(25-32)33(24-27-16-18-31(19-17-27)38(42)43)36(22-23-40-46(44,45)26-28-10-4-1-5-11-28)41(35)37(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,25,37,40H,22-24,26H2,(H,42,43)