[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H29NO5S MolecularWeight: 395.51296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H29NO5S/c1-3-4-6-15-9-11-16(12-10-15)20(23)26-14-19(22)21-17-7-5-8-18(13-17)27(2,24)25/h5,7-8,13,15-16H,3-4,6,9-12,14H2,1-2H3,(H,21,22)