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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(dimethylsulfamoyl)-4-methoxybenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(dimethylsulfamoyl)-4-methoxy-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c1-18(2)26(22,23)14-10-12(6-7-13(14)24-4)16(21)25-11-15(20)19(3)9-5-8-17/h6-7,10H,5,9,11H2,1-4H3