[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2CC2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2CC2

InChI

InChI=1S/C17H21N3O6S/c1-20(9-3-8-18)16(21)11-26-17(22)12-4-7-14(25-2)15(10-12)27(23,24)19-13-5-6-13/h4,7,10,13,19H,3,5-6,9,11H2,1-2H3