4-azanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-azanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitro-benzenesulfonamide Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)NS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4S/c1-6-11(7(2)14-13-6)15-21(19,20)8-3-4-9(12)10(5-8)16(17)18/h3-5,15H,12H2,1-2H3,(H,13,14)