4-[[4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[3-(3-pyridyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[3-(3-pyridinyl)-2,1-benzoxazol-5-yl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[3-(3-pyridyl)anthranil-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CN=C1)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C22H16N6O3S/c23-32(29,30)17-6-4-16(5-7-17)26-22-25-11-9-19(27-22)14-3-8-20-18(12-14)21(31-28-20)15-2-1-10-24-13-15/h1-13H,(H2,23,29,30)(H,25,26,27)