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

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)OCC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C(=O)OCC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO5S/c21-15-8-10-16(11-9-15)22-18(23)14-27-19(24)20(12-4-5-13-20)28(25,26)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H,22,23)