[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(methylsulfonylamino)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(methylsulfonylamino)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H17N3O5S/c1-27(24,25)20-16-10-6-5-9-15(16)18(23)26-13-17(22)21(12-11-19)14-7-3-2-4-8-14/h2-10,20H,12-13H2,1H3