4-(4-butoxyphenyl)sulfonyl-2-fluoranyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-2-fluoranyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-2-fluoro-piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-2-fluoro-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-2-fluoropiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-2-fluoro-isonipecotic acid Formula: C23H28FNO5S MolecularWeight: 449.535523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(C(C2)F)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(C(C2)F)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28FNO5S/c1-2-3-15-30-19-9-11-20(12-10-19)31(28,29)23(22(26)27)13-14-25(21(24)16-23)17-18-7-5-4-6-8-18/h4-12,21H,2-3,13-17H2,1H3,(H,26,27)