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

Systemtic Name: 1-[4-[(2-bromophenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(2-bromophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[(2-bromophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-bromophenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(2-bromobenzyl)oxyphenyl]sulfonyl-5-hydroxy-pipecolinic acid Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C19H20BrNO6S/c20-17-4-2-1-3-13(17)12-27-15-6-8-16(9-7-15)28(25,26)21-11-14(22)5-10-18(21)19(23)24/h1-4,6-9,14,18,22H,5,10-12H2,(H,23,24)