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

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-4-27-18-11-10-17(12-19(18)28-5-2)22-20(23)13-29-21(24)16-8-6-15(7-9-16)14-30(3,25)26/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)