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

Systemtic Name: N-(3-hydroxyphenyl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(3-hydroxyphenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-(3-hydroxyphenyl)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-(3-hydroxyphenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(3-hydroxyphenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C17H15F3N2O4S MolecularWeight: 400.37221

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)O)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)O)C(=O)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O4S/c18-17(19,20)16(24)22-7-6-11-4-5-15(8-12(11)10-22)27(25,26)21-13-2-1-3-14(23)9-13/h1-5,8-9,21,23H,6-7,10H2