[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C17H21N3O5S/c1-20(2)26(23,24)14-7-5-13(6-8-14)16(22)25-11-15(21)19-17(12-18)9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3,(H,19,21)