(1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate

Systemtic Name: (1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate Openeye Name: (1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (1-cyclopentyl-4-methyl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (1-cyclopentyl-4-methylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=NN2C3CCCC3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=NN2C3CCCC3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12-9-17(20-18-16(12)11-19-21(18)13-5-2-3-6-13)27-28(25,26)15-8-4-7-14(10-15)22(23)24/h4,7-11,13H,2-3,5-6H2,1H3