3-butyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 3-butyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 3-butyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-piperidine-2-carboxylic acid CAS Name: 3-butyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 3-butyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxypiperidine-2-carboxylic acid Traditional Name: 3-butyl-1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-3-hydroxy-pipecolinic acid Formula: C23H28FNO6S MolecularWeight: 465.534923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O

InChI

InChI=1S/C23H28FNO6S/c1-2-3-13-23(28)14-4-15-25(21(23)22(26)27)32(29,30)20-11-9-19(10-12-20)31-16-17-5-7-18(24)8-6-17/h5-12,21,28H,2-4,13-16H2,1H3,(H,26,27)