N-[(5-methylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(5-methylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(5-methylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(5-methyl-2-pyrazinyl)methyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(5-methylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(5-methylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H21F3N4O3S MolecularWeight: 490.49805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O3S/c1-15-11-28-19(12-27-15)13-29-22(31)21-10-16-4-2-3-5-17(16)14-30(21)34(32,33)20-8-6-18(7-9-20)23(24,25)26/h2-9,11-12,21H,10,13-14H2,1H3,(H,29,31)