[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)OCC

InChI

InChI=1S/C20H23NO7S/c1-4-26-17-10-9-15(12-18(17)27-5-2)21-19(22)13-28-20(23)14-7-6-8-16(11-14)29(3,24)25/h6-12H,4-5,13H2,1-3H3,(H,21,22)