N-(3-methyl-1,2-oxazol-5-yl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(3-methylisoxazol-5-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-(3-methyl-5-isoxazolyl)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-(3-methyl-1,2-oxazol-5-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(3-methylisoxazol-5-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C15H14F3N3O4S MolecularWeight: 389.34957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

Isomeric SMILES

CC1=NOC(=C1)NS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

InChI

InChI=1S/C15H14F3N3O4S/c1-9-6-13(25-19-9)20-26(23,24)12-3-2-10-4-5-21(8-11(10)7-12)14(22)15(16,17)18/h2-3,6-7,20H,4-5,8H2,1H3