[(3S)-1-[(2R,6R)-1-(4-methylphenyl)sulfonyl-6-propyl-piperidin-2-yl]heptan-3-yl] methanesulfonate

Systemtic Name: [(3S)-1-[(2R,6R)-1-(4-methylphenyl)sulfonyl-6-propyl-piperidin-2-yl]heptan-3-yl] methanesulfonate Openeye Name: [(1S)-1-[2-[(2R,6R)-6-propyl-1-(p-tolylsulfonyl)-2-piperidyl]ethyl]pentyl] methanesulfonate CAS Name: methanesulfonic acid [(3S)-1-[(2R,6R)-1-(4-methylphenyl)sulfonyl-6-propyl-2-piperidinyl]heptan-3-yl] ester IUPAC Name: [(3S)-1-[(2R,6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-2-yl]heptan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-[2-[(2R,6R)-6-propyl-1-tosyl-2-piperidyl]ethyl]pentyl] ester Formula: C23H39NO5S2 MolecularWeight: 473.68946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)C)CCC)OS(=O)(=O)C

Isomeric SMILES

CCCC[C@@H](CC[C@H]1CCC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCC)OS(=O)(=O)C

InChI

InChI=1S/C23H39NO5S2/c1-5-7-12-22(29-30(4,25)26)16-15-21-11-8-10-20(9-6-2)24(21)31(27,28)23-17-13-19(3)14-18-23/h13-14,17-18,20-22H,5-12,15-16H2,1-4H3/t20-,21-,22+/m1/s1