[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-piperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-piperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-2-piperidyl]methyl 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-2-piperidinyl]methyl ester IUPAC Name: [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-2-piperidyl]methyl ester Formula: C28H31ClN4O4S MolecularWeight: 555.08814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)COC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1C[C@@H](N([C@@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)COC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H31ClN4O4S/c29-23-12-14-25(15-13-23)38(35,36)33-24(9-6-10-26(33)22-7-2-1-3-8-22)21-37-28(34)32-19-17-31(18-20-32)27-11-4-5-16-30-27/h1-5,7-8,11-16,24,26H,6,9-10,17-21H2/t24-,26+/m1/s1