[2-(butylamino)-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H29NO5S/c1-4-5-12-21-18(22)14-26-19(23)20(10-6-7-11-20)27(24,25)17-13-15(2)8-9-16(17)3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,21,22)