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

Systemtic Name: 3-methyl-4-[(2-methylphenyl)methoxy]-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-3-hydroxy-3-methyl-4-(o-tolylmethoxy)piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-3-hydroxy-3-methyl-4-[(2-methylphenyl)methoxy]-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-3-hydroxy-3-methyl-4-[(2-methylphenyl)methoxy]piperidine-2-carboxylic acid Traditional Name: 1-besyl-3-hydroxy-3-methyl-4-(2-methylbenzyl)oxy-pipecolinic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2CCN(C(C2(C)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1COC2CCN(C(C2(C)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO6S/c1-15-8-6-7-9-16(15)14-28-18-12-13-22(19(20(23)24)21(18,2)25)29(26,27)17-10-4-3-5-11-17/h3-11,18-19,25H,12-14H2,1-2H3,(H,23,24)