4-[[[2-[(4-methylphenyl)sulfonylamino]-1-phenyl-ethyl]-phenyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[(4-methylphenyl)sulfonylamino]-1-phenyl-ethyl]-phenyl-amino]methyl]benzoic acid Openeye Name: 4-[(N-[1-phenyl-2-(p-tolylsulfonylamino)ethyl]anilino)methyl]benzoic acid CAS Name: 4-[(N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]anilino)methyl]benzoic acid IUPAC Name: 4-[(N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]anilino)methyl]benzoic acid Traditional Name: 4-[(N-[1-phenyl-2-(tosylamino)ethyl]anilino)methyl]benzoic acid Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N(CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)N(CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4S/c1-22-12-18-27(19-13-22)36(34,35)30-20-28(24-8-4-2-5-9-24)31(26-10-6-3-7-11-26)21-23-14-16-25(17-15-23)29(32)33/h2-19,28,30H,20-21H2,1H3,(H,32,33)