[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate CAS Name: 3-(4-acetamidophenyl)sulfonylpropanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Traditional Name: 3-(4-acetamidophenyl)sulfonylpropionic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H22N2O7S/c1-14(24)16-4-3-5-18(12-16)23-20(26)13-30-21(27)10-11-31(28,29)19-8-6-17(7-9-19)22-15(2)25/h3-9,12H,10-11,13H2,1-2H3,(H,22,25)(H,23,26)