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

Systemtic Name: 4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(3-oxidanylpropyl)benzenesulfonamide Openeye Name: 4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(3-hydroxypropyl)benzenesulfonamide CAS Name: 4-[(3-bromo-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]-N-(3-hydroxypropyl)benzenesulfonamide IUPAC Name: 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(3-hydroxypropyl)benzenesulfonamide Traditional Name: 4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(3-hydroxypropyl)benzenesulfonamide Formula: C21H20BrN5O3S MolecularWeight: 502.3842

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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)NCCCO)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5O3S/c22-18-14-23-27-20(13-19(26-21(18)27)15-5-2-1-3-6-15)25-16-7-9-17(10-8-16)31(29,30)24-11-4-12-28/h1-3,5-10,13-14,24-25,28H,4,11-12H2