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

Systemtic Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[2-(2,3-dimethoxyphenyl)ethyl]-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C21H23F3N2O5S MolecularWeight: 472.47793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCNS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

Isomeric SMILES

COC1=CC=CC(=C1OC)CCNS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

InChI

InChI=1S/C21H23F3N2O5S/c1-30-18-5-3-4-15(19(18)31-2)8-10-25-32(28,29)17-7-6-14-9-11-26(13-16(14)12-17)20(27)21(22,23)24/h3-7,12,25H,8-11,13H2,1-2H3