N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C24H31FN2O5S MolecularWeight: 478.576743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C24H31FN2O5S/c1-3-4-14-32-22-12-7-18(15-23(22)31-2)16-26-24(28)19-6-5-13-27(17-19)33(29,30)21-10-8-20(25)9-11-21/h7-12,15,19H,3-6,13-14,16-17H2,1-2H3,(H,26,28)