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

Systemtic Name: 4-(butylaminomethyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 4-(butylaminomethyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 4-(butylaminomethyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 4-(butylaminomethyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid Traditional Name: 4-(butylaminomethyl)-1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-4-hydroxy-pipecolinic acid Formula: C24H31FN2O6S MolecularWeight: 494.576143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCNCC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O

InChI

InChI=1S/C24H31FN2O6S/c1-2-3-13-26-17-24(30)12-14-27(22(15-24)23(28)29)34(31,32)21-10-8-20(9-11-21)33-16-18-4-6-19(25)7-5-18/h4-11,22,26,30H,2-3,12-17H2,1H3,(H,28,29)