[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

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