(3S,4R,6S)-1-methylsulfonyl-6-phenyl-4-(phenylmethylsulfanyl)piperidine-3-carboxylic acid

Systemtic Name: (3S,4R,6S)-1-methylsulfonyl-6-phenyl-4-(phenylmethylsulfanyl)piperidine-3-carboxylic acid Openeye Name: (3S,4R,6S)-4-benzylsulfanyl-1-methylsulfonyl-6-phenyl-piperidine-3-carboxylic acid CAS Name: (3S,4R,6S)-1-methylsulfonyl-6-phenyl-4-(phenylmethylthio)-3-piperidinecarboxylic acid IUPAC Name: (3S,4R,6S)-4-benzylsulfanyl-1-methylsulfonyl-6-phenylpiperidine-3-carboxylic acid Traditional Name: (3S,4R,6S)-4-(benzylthio)-1-mesyl-6-phenyl-nipecotic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C(CC1C2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1C[C@H]([C@@H](C[C@H]1C2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO4S2/c1-27(24,25)21-13-17(20(22)23)19(26-14-15-8-4-2-5-9-15)12-18(21)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3,(H,22,23)/t17-,18+,19-/m1/s1