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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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