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

Systemtic Name: N-heptan-2-yl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(1-methylhexyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-heptan-2-yl-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-heptan-2-yl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(1-methylhexyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C18H25F3N2O3S MolecularWeight: 406.46291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NS(=O)(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

Isomeric SMILES

CCCCCC(C)NS(=O)(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

InChI

InChI=1S/C18H25F3N2O3S/c1-3-4-5-6-13(2)22-27(25,26)16-8-7-14-9-10-23(12-15(14)11-16)17(24)18(19,20)21/h7-8,11,13,22H,3-6,9-10,12H2,1-2H3