[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C16H19NO5S MolecularWeight: 337.39076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C16H19NO5S/c1-23(20,21)14-9-5-8-13(10-14)17-15(18)11-22-16(19)12-6-3-2-4-7-12/h2-3,5,8-10,12H,4,6-7,11H2,1H3,(H,17,18)/t12-/m1/s1