N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-pyridylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-pyridinylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-pyridylmethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H20F3N3O3S MolecularWeight: 475.48341

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H20F3N3O3S/c24-23(25,26)19-7-9-20(10-8-19)33(31,32)29-15-18-6-2-1-5-17(18)12-21(29)22(30)28-14-16-4-3-11-27-13-16/h1-11,13,21H,12,14-15H2,(H,28,30)