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

Systemtic Name: N-(2-thiophen-2-ylethyl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-[2-(2-thienyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-(2-thiophen-2-ylethyl)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-(2-thiophen-2-ylethyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[2-(2-thienyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C17H17F3N2O3S2 MolecularWeight: 418.45369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=CS3)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NCCC3=CC=CS3)C(=O)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3S2/c18-17(19,20)16(23)22-8-6-12-3-4-15(10-13(12)11-22)27(24,25)21-7-5-14-2-1-9-26-14/h1-4,9-10,21H,5-8,11H2