[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25NO6S/c1-4-27-18-8-6-17(7-9-18)22-20(23)14-28-21(24)11-12-29(25,26)19-10-5-15(2)16(3)13-19/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,23)