[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-14-5-4-6-18(13-14)24-21(27)15(2)30-20(26)11-12-22-31(28,29)19-9-7-17(8-10-19)23-16(3)25/h4-10,13,15,22H,11-12H2,1-3H3,(H,23,25)(H,24,27)