benzenesulfonamide; 2-methyl-9-oxidanylidene-1H-pyrazolo[5,1-b]quinazoline-7-sulfonic acid

Systemtic Name: benzenesulfonamide; 2-methyl-9-oxidanylidene-1H-pyrazolo[5,1-b]quinazoline-7-sulfonic acid Openeye Name: benzenesulfonamide; 2-methyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-7-sulfonic acid CAS Name: benzenesulfonamide; 2-methyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-7-sulfonic acid IUPAC Name: benzenesulfonamide; 2-methyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-7-sulfonic acid Traditional Name: benzenesulfonamide; 9-keto-2-methyl-1H-pyrazolo[5,1-b]quinazoline-7-sulfonic acid Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)N2N1.C1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC1=CC2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)N2N1.C1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C11H9N3O4S.C6H7NO2S/c1-6-4-10-12-9-3-2-7(19(16,17)18)5-8(9)11(15)14(10)13-6;7-10(8,9)6-4-2-1-3-5-6/h2-5,13H,1H3,(H,16,17,18);1-5H,(H2,7,8,9)