4-[4-[(4-methylphenyl)carbonylamino]phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(4-methylphenyl)carbonylamino]phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxo-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(4-methylbenzoyl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(p-toluoylamino)phenyl]-2-(tosylamino)butyric acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H24N2O6S/c1-16-3-7-19(8-4-16)24(29)26-20-11-9-18(10-12-20)23(28)15-22(25(30)31)27-34(32,33)21-13-5-17(2)6-14-21/h3-14,22,27H,15H2,1-2H3,(H,26,29)(H,30,31)