4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-methylphenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-methylphenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(m-tolylsulfonyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-methylphenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-methylphenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(m-tolylsulfonyl)amino]methyl]benzoic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H22N2O5S/c1-16-6-5-9-20(14-16)31(29,30)25(15-17-10-12-19(13-11-17)23(27)28)21(22(24)26)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3,(H2,24,26)(H,27,28)