[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)S(=O)(=O)NC2CC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)S(=O)(=O)NC2CC2

InChI

InChI=1S/C16H19N3O6S/c1-24-13-6-3-11(9-14(13)26(22,23)19-12-4-5-12)16(21)25-10-15(20)18-8-2-7-17/h3,6,9,12,19H,2,4-5,8,10H2,1H3,(H,18,20)