3-[[4-[1H-indazol-4-yl(4-oxidanylbutyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[1H-indazol-4-yl(4-oxidanylbutyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[4-hydroxybutyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[4-hydroxybutyl(1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[4-hydroxybutyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[4-hydroxybutyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H23N7O3S MolecularWeight: 453.51742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)N(CCCCO)C3=CC=CC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)N(CCCCO)C3=CC=CC4=C3C=NN4

InChI

InChI=1S/C21H23N7O3S/c22-32(30,31)16-6-3-5-15(13-16)25-21-23-10-9-20(26-21)28(11-1-2-12-29)19-8-4-7-18-17(19)14-24-27-18/h3-10,13-14,29H,1-2,11-12H2,(H,24,27)(H2,22,30,31)(H,23,25,26)