3-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]benzoic acid

Systemtic Name: 3-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]benzoic acid Openeye Name: 3-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]benzoic acid CAS Name: 3-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]benzoic acid IUPAC Name: 3-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]benzoic acid Traditional Name: 3-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-16-7-9-17(10-8-16)29(27,28)23(18-6-1-2-11-22-19(18)24)13-14-4-3-5-15(12-14)20(25)26/h3-5,7-10,12,18H,1-2,6,11,13H2,(H,22,24)(H,25,26)