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

Systemtic Name: 3-[[4-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(C=NN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(C=NN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N)OC

InChI

InChI=1S/C21H20N6O4S/c1-30-15-8-13(9-16(11-15)31-2)20-18(12-24-27-20)19-6-7-23-21(26-19)25-14-4-3-5-17(10-14)32(22,28)29/h3-12H,1-2H3,(H,24,27)(H2,22,28,29)(H,23,25,26)