1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,5-dimethylhexyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(6-methylheptan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,5-dimethylhexyl)isonipecotamide Formula: C21H30ClF3N2O3S MolecularWeight: 482.98771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClF3N2O3S/c1-14(2)5-4-6-15(3)26-20(28)16-9-11-27(12-10-16)31(29,30)17-7-8-19(22)18(13-17)21(23,24)25/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,26,28)