[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5S/c1-18-10-11-19(2)21(16-18)32(29,30)24(12-6-7-13-24)23(28)31-17-22(27)26(15-14-25)20-8-4-3-5-9-20/h3-5,8-11,16H,6-7,12-13,15,17H2,1-2H3