ethyl 3-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfonylacetyl]amino]benzoate CAS Name: 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonyl-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate Traditional Name: 3-[[2-[2-keto-2-(m-toluidino)ethyl]sulfonylacetyl]amino]benzoic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)(=O)CC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)(=O)CC(=O)NC2=CC=CC(=C2)C

InChI

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