4-butoxy-1-[(4-fluorophenyl)methyl]-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-butoxy-1-[(4-fluorophenyl)methyl]-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-butoxy-1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-butoxy-1-[(4-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-butoxy-1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 2-besyl-4-butoxy-1-(4-fluorobenzyl)isonipecotic acid Formula: C23H28FNO5S MolecularWeight: 449.535523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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