ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(4-fluorobenzyl)isonipecotic acid ethyl ester Formula: C25H32FNO5S MolecularWeight: 477.588683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C25H32FNO5S/c1-3-5-18-32-22-10-12-23(13-11-22)33(29,30)25(24(28)31-4-2)14-16-27(17-15-25)19-20-6-8-21(26)9-7-20/h6-13H,3-5,14-19H2,1-2H3