1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-heptan-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-heptan-2-yl-piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-methylhexyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-heptan-2-yl-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-heptan-2-ylpiperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-methylhexyl)isonipecotamide Formula: C20H28ClF3N2O3S MolecularWeight: 468.96113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C20H28ClF3N2O3S/c1-3-4-5-6-14(2)25-19(27)15-9-11-26(12-10-15)30(28,29)16-7-8-18(21)17(13-16)20(22,23)24/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,25,27)