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

Systemtic Name: (2S,3S,4R)-4-chloranyl-3-ethyl-1-(4-methylphenyl)sulfonyl-2-phenethyl-piperidine Openeye Name: (2S,3S,4R)-4-chloro-3-ethyl-2-phenethyl-1-(p-tolylsulfonyl)piperidine CAS Name: (2S,3S,4R)-4-chloro-3-ethyl-1-(4-methylphenyl)sulfonyl-2-phenethylpiperidine IUPAC Name: (2S,3S,4R)-4-chloro-3-ethyl-1-(4-methylphenyl)sulfonyl-2-phenethylpiperidine Traditional Name: (2S,3S,4R)-4-chloro-3-ethyl-2-phenethyl-1-tosyl-piperidine Formula: C22H28ClNO2S MolecularWeight: 405.98122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN(C1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CC[C@@H]1[C@@H](CCN([C@H]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C22H28ClNO2S/c1-3-20-21(23)15-16-24(22(20)14-11-18-7-5-4-6-8-18)27(25,26)19-12-9-17(2)10-13-19/h4-10,12-13,20-22H,3,11,14-16H2,1-2H3/t20-,21-,22+/m1/s1