1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-methoxypropyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-methoxypropyl)isonipecotamide Formula: C17H22ClF3N2O4S MolecularWeight: 442.88079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClF3N2O4S/c1-27-10-2-7-22-16(24)12-5-8-23(9-6-12)28(25,26)13-3-4-15(18)14(11-13)17(19,20)21/h3-4,11-12H,2,5-10H2,1H3,(H,22,24)