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

Systemtic Name: N-hexyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-hexyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-hexyl-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-hexyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-hexyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C17H23F3N2O3S MolecularWeight: 392.43633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

Isomeric SMILES

CCCCCCNS(=O)(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

InChI

InChI=1S/C17H23F3N2O3S/c1-2-3-4-5-9-21-26(24,25)15-7-6-13-8-10-22(12-14(13)11-15)16(23)17(18,19)20/h6-7,11,21H,2-5,8-10,12H2,1H3