N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-tert-butyl-3-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitro-benzenesulfonamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H22N6O4S/c1-14-5-7-15(8-6-14)19-18-20(23-13-24-21(18)27(25-19)22(2,3)4)26-33(31,32)17-11-9-16(10-12-17)28(29)30/h5-13H,1-4H3,(H,23,24,26)