N-(1,3-benzodioxol-5-yl)-1-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H18ClF3N2O5S MolecularWeight: 490.88053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N2O5S/c21-13-1-4-18(15(9-13)20(22,23)24)32(28,29)26-7-5-12(6-8-26)19(27)25-14-2-3-16-17(10-14)31-11-30-16/h1-4,9-10,12H,5-8,11H2,(H,25,27)