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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H17ClF3N3O3S MolecularWeight: 471.88049

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H17ClF3N3O3S/c21-17-11-15(6-5-14(17)12-25)26-19(28)13-7-9-27(10-8-13)31(29,30)18-4-2-1-3-16(18)20(22,23)24/h1-6,11,13H,7-10H2,(H,26,28)