4-[4-methyl-3,6-bis(oxidanylidene)-7-phenyl-1H-pyrazolo[3,4-b]pyridin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-methyl-3,6-bis(oxidanylidene)-7-phenyl-1H-pyrazolo[3,4-b]pyridin-2-yl]benzenesulfonic acid Openeye Name: 4-(4-methyl-3,6-dioxo-7-phenyl-1H-pyrazolo[3,4-b]pyridin-2-yl)benzenesulfonic acid CAS Name: 4-(4-methyl-3,6-dioxo-7-phenyl-1H-pyrazolo[3,4-b]pyridin-2-yl)benzenesulfonic acid IUPAC Name: 4-(4-methyl-3,6-dioxo-7-phenyl-1H-pyrazolo[3,4-b]pyridin-2-yl)benzenesulfonic acid Traditional Name: 4-(3,6-diketo-4-methyl-7-phenyl-1H-pyrazolo[3,4-b]pyridin-2-yl)besylic acid Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=C1C(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C2=C1C(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O5S/c1-12-11-16(23)21(13-5-3-2-4-6-13)18-17(12)19(24)22(20-18)14-7-9-15(10-8-14)28(25,26)27/h2-11,20H,1H3,(H,25,26,27)