[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-18-8-7-9-19(16-18)29-15-14-24-21(25)17-30-22(26)23(12-5-6-13-23)31(27,28)20-10-3-2-4-11-20/h2-4,7-11,16H,5-6,12-15,17H2,1H3,(H,24,25)