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

Systemtic Name: 3-[[5-cyclopropyl-4-[(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-cyclopropyl-4-[(4-methyl-3-oxo-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-cyclopropyl-4-[(4-methyl-3-oxo-1,4-benzothiazin-6-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-cyclopropyl-4-[(4-methyl-3-oxo-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-cyclopropyl-4-[(3-keto-4-methyl-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=C1C=C(C=C2)NC3=NC(=NC=C3C4CC4)NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

CN1C(=O)CSC2=C1C=C(C=C2)NC3=NC(=NC=C3C4CC4)NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C22H22N6O3S2/c1-28-18-10-15(7-8-19(18)32-12-20(28)29)25-21-17(13-5-6-13)11-24-22(27-21)26-14-3-2-4-16(9-14)33(23,30)31/h2-4,7-11,13H,5-6,12H2,1H3,(H2,23,30,31)(H2,24,25,26,27)