N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]phenyl]methanesulfonamide Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c1-9-14(18(20)21)10(2)17(15-9)8-13(19)11-4-6-12(7-5-11)16-24(3,22)23/h4-7,16H,8H2,1-3H3