1-(4-ethoxyphenyl)sulfonyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(3-fluoro-4-methyl-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H27FN2O4S/c1-3-29-19-6-8-20(9-7-19)30(27,28)25-12-10-18(11-13-25)22(26)24-15-17-5-4-16(2)21(23)14-17/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,24,26)