4-[(2-chlorophenyl)methoxy]-3-methyl-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid

Systemtic Name: 4-[(2-chlorophenyl)methoxy]-3-methyl-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(2-chlorophenyl)methoxy]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(2-chlorophenyl)methoxy]-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2-chlorophenyl)methoxy]-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(2-chlorobenzyl)oxy-3-hydroxy-3-methyl-pipecolinic acid Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=CC=C3Cl)O

Isomeric SMILES

CC1(C(CCN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=CC=C3Cl)O

InChI

InChI=1S/C20H22ClNO6S/c1-20(25)17(28-13-14-7-5-6-10-16(14)21)11-12-22(18(20)19(23)24)29(26,27)15-8-3-2-4-9-15/h2-10,17-18,25H,11-13H2,1H3,(H,23,24)