4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]benzoic acid CAS Name: 4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]benzoic acid IUPAC Name: 4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]benzoic acid Traditional Name: 4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]benzoic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C23H24N2O4S/c1-17-21(24-30(2,28)29)9-6-10-22(17)25(15-18-7-4-3-5-8-18)16-19-11-13-20(14-12-19)23(26)27/h3-14,24H,15-16H2,1-2H3,(H,26,27)