4-methyl-N-[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonamide CAS Name: 4-methyl-N-[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonamide Traditional Name: N-[4-keto-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-4-methyl-benzenesulfonamide Formula: C18H14N6O5S MolecularWeight: 426.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=NC=NC3=O)N(N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=NC=NC3=O)N(N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O5S/c1-11-2-8-14(9-3-11)30(28,29)22-16-15-17(19-10-20-18(15)25)23(21-16)12-4-6-13(7-5-12)24(26)27/h2-10,21-22H,1H3