[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C14H16ClN3O5S MolecularWeight: 373.81194

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CCC#N)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CCC#N)Cl

InChI

InChI=1S/C14H16ClN3O5S/c1-17-24(21,22)12-8-10(4-5-11(12)15)14(20)23-9-13(19)18(2)7-3-6-16/h4-5,8,17H,3,7,9H2,1-2H3