[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO5S/c1-18(23(27)19-10-12-21(13-11-19)25(2,3)4)31-24(28)20-14-16-26(17-15-20)32(29,30)22-8-6-5-7-9-22/h5-13,18,20H,14-17H2,1-4H3