3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C4=NC(=NC=C4)NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C4=NC(=NC=C4)NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C20H16N6O4S/c21-31(27,28)14-3-1-2-13(9-14)24-20-22-7-6-16(25-20)15-10-23-26-19(15)12-4-5-17-18(8-12)30-11-29-17/h1-10H,11H2,(H,23,26)(H2,21,27,28)(H,22,24,25)