N-[3-[[3-bromanyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-[3-[[3-bromanyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[3-[[3-bromo-5-(2-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]propyl]-N-methyl-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C27H25BrClF3N6O3S MolecularWeight: 685.94301

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=CC(=NC2=C(C=NN12)Br)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC5=C(CCN(C5)C(=O)C(F)(F)F)C=C4

Isomeric SMILES

CN(CCCNC1=CC(=NC2=C(C=NN12)Br)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC5=C(CCN(C5)C(=O)C(F)(F)F)C=C4

InChI

InChI=1S/C27H25BrClF3N6O3S/c1-36(42(40,41)19-8-7-17-9-12-37(16-18(17)13-19)26(39)27(30,31)32)11-4-10-33-24-14-23(20-5-2-3-6-22(20)29)35-25-21(28)15-34-38(24)25/h2-3,5-8,13-15,33H,4,9-12,16H2,1H3