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

Systemtic Name: 4-chloranyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-benzenesulfonamide Formula: C14H12ClN5O4S MolecularWeight: 381.79418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O4S/c1-8-11-5-9(7-16-14(11)19(2)17-8)18-25(23,24)10-3-4-12(15)13(6-10)20(21)22/h3-7,18H,1-2H3