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

Systemtic Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-6-phenyl-4-(phenylmethylsulfanyl)piperidine-3-carboxylic acid Openeye Name: (3S,4R,6S)-4-benzylsulfanyl-6-phenyl-1-(p-tolylsulfonyl)piperidine-3-carboxylic acid CAS Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-6-phenyl-4-(phenylmethylthio)-3-piperidinecarboxylic acid IUPAC Name: (3S,4R,6S)-4-benzylsulfanyl-1-(4-methylphenyl)sulfonyl-6-phenylpiperidine-3-carboxylic acid Traditional Name: (3S,4R,6S)-4-(benzylthio)-6-phenyl-1-tosyl-nipecotic acid Formula: C26H27NO4S2 MolecularWeight: 481.62688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(CC2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H27NO4S2/c1-19-12-14-22(15-13-19)33(30,31)27-17-23(26(28)29)25(32-18-20-8-4-2-5-9-20)16-24(27)21-10-6-3-7-11-21/h2-15,23-25H,16-18H2,1H3,(H,28,29)/t23-,24+,25-/m1/s1