[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C20H22N2O6S/c1-13-7-8-15(9-14(13)2)20(25)21-11-19(24)28-12-18(23)22-16-5-4-6-17(10-16)29(3,26)27/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,23)