[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NCCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NCCC#N)C

InChI

InChI=1S/C19H24N2O5S/c1-14-6-7-16(12-15(14)2)27(24,25)19(8-3-4-9-19)18(23)26-13-17(22)21-11-5-10-20/h6-7,12H,3-5,8-9,11,13H2,1-2H3,(H,21,22)