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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C20H17ClF3N3O4S MolecularWeight: 487.87989

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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(=C3)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3N3O4S/c21-18-10-15(5-4-14(18)12-25)26-19(28)13-6-8-27(9-7-13)32(29,30)17-3-1-2-16(11-17)31-20(22,23)24/h1-5,10-11,13H,6-9H2,(H,26,28)