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

Systemtic Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-N,N-diethyl-benzenesulfonamide Formula: C17H22N4O5S MolecularWeight: 394.44538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O5S/c1-5-19(6-2)27(25,26)15-9-7-14(8-10-15)16(22)11-20-13(4)17(21(23)24)12(3)18-20/h7-10H,5-6,11H2,1-4H3