5-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 5-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzenesulfonamide Openeye Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzenesulfonamide CAS Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)-2-pyrimidinyl]amino]-2-(4-methyl-1-piperazinyl)benzenesulfonamide IUPAC Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzenesulfonamide Traditional Name: 5-[[5-fluoro-4-(4-propargyloxyanilino)pyrimidin-2-yl]amino]-2-(4-methylpiperazino)benzenesulfonamide Formula: C24H26FN7O3S MolecularWeight: 511.571743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)OCC#C)F)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)OCC#C)F)S(=O)(=O)N

InChI

InChI=1S/C24H26FN7O3S/c1-3-14-35-19-7-4-17(5-8-19)28-23-20(25)16-27-24(30-23)29-18-6-9-21(22(15-18)36(26,33)34)32-12-10-31(2)11-13-32/h1,4-9,15-16H,10-14H2,2H3,(H2,26,33,34)(H2,27,28,29,30)