(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(phenylcarbonyloxy)piperidine-2-carboxylic acid

Systemtic Name: (2R,3S)-1-(4-methylphenyl)sulfonyl-3-(phenylcarbonyloxy)piperidine-2-carboxylic acid Openeye Name: (2R,3S)-3-benzoyloxy-1-(p-tolylsulfonyl)piperidine-2-carboxylic acid CAS Name: (2R,3S)-3-benzoyloxy-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: (2R,3S)-3-benzoyloxy-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: (2R,3S)-3-benzoyloxy-1-tosyl-pipecolinic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]([C@@H]2C(=O)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO6S/c1-14-9-11-16(12-10-14)28(25,26)21-13-5-8-17(18(21)19(22)23)27-20(24)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H,22,23)/t17-,18+/m0/s1