(2S,3S,4R)-4-chloranyl-3-ethyl-2-heptyl-1-(4-methylphenyl)sulfonyl-piperidine

Systemtic Name: (2S,3S,4R)-4-chloranyl-3-ethyl-2-heptyl-1-(4-methylphenyl)sulfonyl-piperidine Openeye Name: (2S,3S,4R)-4-chloro-3-ethyl-2-heptyl-1-(p-tolylsulfonyl)piperidine CAS Name: (2S,3S,4R)-4-chloro-3-ethyl-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine IUPAC Name: (2S,3S,4R)-4-chloro-3-ethyl-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine Traditional Name: (2S,3S,4R)-4-chloro-3-ethyl-2-heptyl-1-tosyl-piperidine Formula: C21H34ClNO2S MolecularWeight: 400.01816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(CCN1S(=O)(=O)C2=CC=C(C=C2)C)Cl)CC

Isomeric SMILES

CCCCCCC[C@H]1[C@@H]([C@@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C)Cl)CC

InChI

InChI=1S/C21H34ClNO2S/c1-4-6-7-8-9-10-21-19(5-2)20(22)15-16-23(21)26(24,25)18-13-11-17(3)12-14-18/h11-14,19-21H,4-10,15-16H2,1-3H3/t19-,20-,21+/m1/s1