(3S,4R,6S)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylsulfanyl)-6-thiophen-2-yl-piperidine-3-carboxylic acid

Systemtic Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylsulfanyl)-6-thiophen-2-yl-piperidine-3-carboxylic acid Openeye Name: (3S,4R,6S)-4-benzylsulfanyl-1-(p-tolylsulfonyl)-6-(2-thienyl)piperidine-3-carboxylic acid CAS Name: (3S,4R,6S)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylthio)-6-thiophen-2-yl-3-piperidinecarboxylic acid IUPAC Name: (3S,4R,6S)-4-benzylsulfanyl-1-(4-methylphenyl)sulfonyl-6-thiophen-2-ylpiperidine-3-carboxylic acid Traditional Name: (3S,4R,6S)-4-(benzylthio)-6-(2-thienyl)-1-tosyl-nipecotic acid Formula: C24H25NO4S3 MolecularWeight: 487.6546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(CC2C3=CC=CS3)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=CS3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H25NO4S3/c1-17-9-11-19(12-10-17)32(28,29)25-15-20(24(26)27)23(14-21(25)22-8-5-13-30-22)31-16-18-6-3-2-4-7-18/h2-13,20-21,23H,14-16H2,1H3,(H,26,27)/t20-,21+,23-/m1/s1