N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H27FN4O3S MolecularWeight: 434.527483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O3S/c1-25(2)20(17-5-3-6-18(22)13-17)15-24-21(27)16-8-11-26(12-9-16)30(28,29)19-7-4-10-23-14-19/h3-7,10,13-14,16,20H,8-9,11-12,15H2,1-2H3,(H,24,27)