[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O6S/c1-27-17-9-8-15(29(21,25)26)12-16(17)19(24)28-13-18(23)22(11-5-10-20)14-6-3-2-4-7-14/h2-4,6-9,12H,5,11,13H2,1H3,(H2,21,25,26)