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

Systemtic Name: 5-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide Openeye Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-2-methyl-N-(1-methyl-4-piperidyl)benzenesulfonamide CAS Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)-2-pyrimidinyl]amino]-2-methyl-N-(1-methyl-4-piperidinyl)benzenesulfonamide IUPAC Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide Traditional Name: 5-[[5-fluoro-4-(4-propargyloxyanilino)pyrimidin-2-yl]amino]-2-methyl-N-(1-methyl-4-piperidyl)benzenesulfonamide Formula: C26H29FN6O3S MolecularWeight: 524.610263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#C)F)S(=O)(=O)NC4CCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#C)F)S(=O)(=O)NC4CCN(CC4)C

InChI

InChI=1S/C26H29FN6O3S/c1-4-15-36-22-9-7-19(8-10-22)29-25-23(27)17-28-26(31-25)30-21-6-5-18(2)24(16-21)37(34,35)32-20-11-13-33(3)14-12-20/h1,5-10,16-17,20,32H,11-15H2,2-3H3,(H2,28,29,30,31)