N-(5-methylpyridin-2-yl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-(5-methylpyridin-2-yl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(5-methyl-2-pyridyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-(5-methyl-2-pyridinyl)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-(5-methylpyridin-2-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(5-methyl-2-pyridyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

Isomeric SMILES

CC1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

InChI

InChI=1S/C17H16F3N3O3S/c1-11-2-5-15(21-9-11)22-27(25,26)14-4-3-12-6-7-23(10-13(12)8-14)16(24)17(18,19)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)