4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-1,6-dimethyl-pyrazolo[3,4-b]pyridin-3-olate

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-1,6-dimethyl-pyrazolo[3,4-b]pyridin-3-olate Openeye Name: 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-1,6-dimethyl-pyrazolo[3,4-b]pyridin-3-olate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1,6-dimethyl-3-pyrazolo[3,4-b]pyridinolate IUPAC Name: 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-1,6-dimethylpyrazolo[3,4-b]pyridin-3-olate Traditional Name: 4-(4-brosylpiperazine-1-carbonyl)-1,6-dimethyl-pyrazolo[3,4-b]pyridin-3-olate Formula: C19H19BrN5O4S- MolecularWeight: 493.35426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=NN2C)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=NN2C)[O-]

InChI

InChI=1S/C19H20BrN5O4S/c1-12-11-15(16-17(21-12)23(2)22-18(16)26)19(27)24-7-9-25(10-8-24)30(28,29)14-5-3-13(20)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,22,26)/p-1