[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O5S/c1-14(2)12-19-17(21)13-25-18(22)15-8-10-20(11-9-15)26(23,24)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,21)