[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-16-9-11-17(12-10-16)22-19(23)15-27-20(24)21(13-5-6-14-21)28(25,26)18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-15H2,1H3,(H,22,23)