5-methyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonamide

Systemtic Name: 5-methyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonamide Openeye Name: 5-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-8-sulfonamide CAS Name: 5-methyl-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-8-sulfonamide IUPAC Name: 5-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-8-sulfonamide Traditional Name: 5-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-8-sulfonamide Formula: C12H13F3N2O3S MolecularWeight: 322.30343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(CC2=C(C=C1)S(=O)(=O)N)C(=O)C(F)(F)F

Isomeric SMILES

CC1=C2CCN(CC2=C(C=C1)S(=O)(=O)N)C(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O3S/c1-7-2-3-10(21(16,19)20)9-6-17(5-4-8(7)9)11(18)12(13,14)15/h2-3H,4-6H2,1H3,(H2,16,19,20)