N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-nitro-benzenesulfonamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-nitro-benzenesulfonamide Formula: C14H13N5O4S MolecularWeight: 347.34912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N5O4S/c1-9-13-7-10(8-15-14(13)18(2)16-9)17-24(22,23)12-5-3-11(4-6-12)19(20)21/h3-8,17H,1-2H3