N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-1-propylsulfonyl-nipecotamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O4S/c1-2-12-30(27,28)25-11-5-7-17(15-25)20(26)24-14-16-6-4-10-23-21(16)29-19-9-3-8-18(22)13-19/h3-4,6,8-10,13,17H,2,5,7,11-12,14-15H2,1H3,(H,24,26)