[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

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