N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanesulfonamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanesulfonamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanesulfonamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanesulfonamide IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanesulfonamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanesulfonamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)NS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c1-8-12(9(2)14-13-8)15-21(19,20)7-10-3-5-11(6-4-10)16(17)18/h3-6,15H,7H2,1-2H3,(H,13,14)