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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C24H31FN2O5S/c1-3-4-15-32-22-10-5-18(16-23(22)31-2)17-26-24(28)19-11-13-27(14-12-19)33(29,30)21-8-6-20(25)7-9-21/h5-10,16,19H,3-4,11-15,17H2,1-2H3,(H,26,28)