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

Systemtic Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-6-phenyl-4-phenylsulfanyl-piperidine-3-carboxylic acid Openeye Name: (3S,4R,6S)-6-phenyl-4-phenylsulfanyl-1-(p-tolylsulfonyl)piperidine-3-carboxylic acid CAS Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-6-phenyl-4-(phenylthio)-3-piperidinecarboxylic acid IUPAC Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-6-phenyl-4-phenylsulfanylpiperidine-3-carboxylic acid Traditional Name: (3S,4R,6S)-6-phenyl-4-(phenylthio)-1-tosyl-nipecotic acid Formula: C25H25NO4S2 MolecularWeight: 467.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(CC2C3=CC=CC=C3)SC4=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)SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25NO4S2/c1-18-12-14-21(15-13-18)32(29,30)26-17-22(25(27)28)24(31-20-10-6-3-7-11-20)16-23(26)19-8-4-2-5-9-19/h2-15,22-24H,16-17H2,1H3,(H,27,28)/t22-,23+,24-/m1/s1