N-(2-azanylethyl)-4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide Openeye Name: N-(2-aminoethyl)-4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide CAS Name: N-(2-aminoethyl)-4-[(3-bromo-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]benzenesulfonamide IUPAC Name: N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide Traditional Name: N-(2-aminoethyl)-4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide Formula: C20H19BrN6O2S MolecularWeight: 487.37286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)NCCN)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)NCCN)Br

InChI

InChI=1S/C20H19BrN6O2S/c21-17-13-23-27-19(12-18(26-20(17)27)14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)30(28,29)24-11-10-22/h1-9,12-13,24-25H,10-11,22H2