[(2S,6S)-1-(4-methylphenyl)sulfonyl-6-[(2R)-2-phenylmethoxypentyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,6S)-1-(4-methylphenyl)sulfonyl-6-[(2R)-2-phenylmethoxypentyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,6S)-6-[(2R)-2-benzyloxypentyl]-1-(p-tolylsulfonyl)-2-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,6S)-1-(4-methylphenyl)sulfonyl-6-[(2R)-2-phenylmethoxypentyl]-2-piperidinyl]methyl ester IUPAC Name: [(2S,6S)-1-(4-methylphenyl)sulfonyl-6-[(2R)-2-phenylmethoxypentyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,6S)-6-[(2R)-2-benzoxypentyl]-1-tosyl-2-piperidyl]methyl ester Formula: C32H41NO6S2 MolecularWeight: 599.80104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

Isomeric SMILES

CCC[C@H](C[C@@H]1CCC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

InChI

InChI=1S/C32H41NO6S2/c1-4-9-30(38-23-27-10-6-5-7-11-27)22-28-12-8-13-29(24-39-41(36,37)32-20-16-26(3)17-21-32)33(28)40(34,35)31-18-14-25(2)15-19-31/h5-7,10-11,14-21,28-30H,4,8-9,12-13,22-24H2,1-3H3/t28-,29-,30+/m0/s1