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

Systemtic Name: 3-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(3-phenyl-2,1-benzoxazol-5-yl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(3-phenylanthranil-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C23H17N5O3S MolecularWeight: 443.47778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O3S/c24-32(29,30)18-8-4-7-17(14-18)26-23-25-12-11-20(27-23)16-9-10-21-19(13-16)22(31-28-21)15-5-2-1-3-6-15/h1-14H,(H2,24,29,30)(H,25,26,27)