(2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-pentyl-piperazine

Systemtic Name: (2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-pentyl-piperazine Openeye Name: (2S,3R)-2-ethyl-3-pentyl-1-(p-tolylsulfonyl)piperazine CAS Name: (2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-pentylpiperazine IUPAC Name: (2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-pentylpiperazine Traditional Name: (2S,3R)-3-amyl-2-ethyl-1-tosyl-piperazine Formula: C18H30N2O2S MolecularWeight: 338.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)C)CC

Isomeric SMILES

CCCCC[C@@H]1[C@@H](N(CCN1)S(=O)(=O)C2=CC=C(C=C2)C)CC

InChI

InChI=1S/C18H30N2O2S/c1-4-6-7-8-17-18(5-2)20(14-13-19-17)23(21,22)16-11-9-15(3)10-12-16/h9-12,17-19H,4-8,13-14H2,1-3H3/t17-,18+/m1/s1