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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6S/c1-13(21)15-6-8-17(9-7-15)20-18(22)11-26-19(23)16-5-3-4-14(10-16)12-27(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22)