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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-isoquinolin-5-yl-piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-isoquinolyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-isoquinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-isoquinolin-5-ylpiperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-isoquinolyl)isonipecotamide Formula: C22H19ClF3N3O3S MolecularWeight: 497.91777

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H19ClF3N3O3S/c23-19-5-4-16(12-18(19)22(24,25)26)33(31,32)29-10-7-14(8-11-29)21(30)28-20-3-1-2-15-13-27-9-6-17(15)20/h1-6,9,12-14H,7-8,10-11H2,(H,28,30)