4-[(5-chloranyl-2-methyl-phenyl)methoxy]-3,3-dimethyl-5-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)methoxy]-3,3-dimethyl-5-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(5-chloro-2-methyl-phenyl)methoxy]-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(5-chloro-2-methylphenyl)methoxy]-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(5-chloro-2-methylphenyl)methoxy]-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(5-chloro-2-methyl-benzyl)oxy-5-hydroxy-3,3-dimethyl-pipecolinic acid Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)COC2C(CN(C(C2(C)C)C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)COC2C(CN(C(C2(C)C)C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H26ClNO6S/c1-14-9-10-16(23)11-15(14)13-30-20-18(25)12-24(19(21(26)27)22(20,2)3)31(28,29)17-7-5-4-6-8-17/h4-11,18-20,25H,12-13H2,1-3H3,(H,26,27)