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

Systemtic Name: 4-[(2-bromophenyl)methoxy]-3,3-dimethyl-5-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methoxy]-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methoxy]-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methoxy]-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(2-bromobenzyl)oxy-5-hydroxy-3,3-dimethyl-pipecolinic acid Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2)O)OCC3=CC=CC=C3Br)C

Isomeric SMILES

CC1(C(C(CN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2)O)OCC3=CC=CC=C3Br)C

InChI

InChI=1S/C21H24BrNO6S/c1-21(2)18(20(25)26)23(30(27,28)15-9-4-3-5-10-15)12-17(24)19(21)29-13-14-8-6-7-11-16(14)22/h3-11,17-19,24H,12-13H2,1-2H3,(H,25,26)