methyl 3-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoate Openeye Name: methyl 3-[[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfonylmethyl]benzoate CAS Name: 3-[[2-(4-ethoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoate Traditional Name: 3-[[2-keto-2-(p-phenetidino)ethyl]sulfonylmethyl]benzoic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C19H21NO6S/c1-3-26-17-9-7-16(8-10-17)20-18(21)13-27(23,24)12-14-5-4-6-15(11-14)19(22)25-2/h4-11H,3,12-13H2,1-2H3,(H,20,21)