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

Systemtic Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C19H20F3N3O5S2 MolecularWeight: 491.50441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O5S2/c20-19(21,22)18(26)25-10-8-14-3-6-17(11-15(14)12-25)32(29,30)24-9-7-13-1-4-16(5-2-13)31(23,27)28/h1-6,11,24H,7-10,12H2,(H2,23,27,28)