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

Systemtic Name: (3S,4R,6S)-6-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-piperidine-3-carboxylic acid Openeye Name: (3S,4R,6S)-4-phenylsulfanyl-6-(p-tolyl)-1-(p-tolylsulfonyl)piperidine-3-carboxylic acid CAS Name: (3S,4R,6S)-6-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-(phenylthio)-3-piperidinecarboxylic acid IUPAC Name: (3S,4R,6S)-6-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanylpiperidine-3-carboxylic acid Traditional Name: (3S,4R,6S)-4-(phenylthio)-6-(p-tolyl)-1-tosyl-nipecotic acid Formula: C26H27NO4S2 MolecularWeight: 481.62688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C(CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C[C@H]([C@@H](CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S2/c1-18-8-12-20(13-9-18)24-16-25(32-21-6-4-3-5-7-21)23(26(28)29)17-27(24)33(30,31)22-14-10-19(2)11-15-22/h3-15,23-25H,16-17H2,1-2H3,(H,28,29)/t23-,24+,25-/m1/s1