N-[4-(diethylamino)-2-methyl-phenyl]-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C22H26F3N3O3S MolecularWeight: 469.52035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F3N3O3S/c1-4-27(5-2)18-7-9-20(15(3)12-18)26-32(30,31)19-8-6-16-10-11-28(14-17(16)13-19)21(29)22(23,24)25/h6-9,12-13,26H,4-5,10-11,14H2,1-3H3