4-[[4-[cyanomethyl-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[cyanomethyl-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[cyanomethyl-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)amino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[cyanomethyl-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)amino]-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[cyanomethyl-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[cyanomethyl-(3-keto-4-methyl-1,4-benzothiazin-6-yl)amino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H18FN7O3S2 MolecularWeight: 499.541123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=C1C=C(C=C2)N(CC#N)C3=NC(=NC=C3F)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CN1C(=O)CSC2=C1C=C(C=C2)N(CC#N)C3=NC(=NC=C3F)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H18FN7O3S2/c1-28-17-10-14(4-7-18(17)33-12-19(28)30)29(9-8-23)20-16(22)11-25-21(27-20)26-13-2-5-15(6-3-13)34(24,31)32/h2-7,10-11H,9,12H2,1H3,(H2,24,31,32)(H,25,26,27)