[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H16N2O5S/c1-2-26(23,24)16-9-4-3-8-15(16)18(22)25-12-17(21)20-14-7-5-6-13(10-14)11-19/h3-10H,2,12H2,1H3,(H,20,21)