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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2-cyanoethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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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)NCCC#N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NCCC#N

InChI

InChI=1S/C20H18F3N3O3S/c21-20(22,23)16-6-8-17(9-7-16)30(28,29)26-13-15-5-2-1-4-14(15)12-18(26)19(27)25-11-3-10-24/h1-2,4-9,18H,3,11-13H2,(H,25,27)