N-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide CAS Name: N-methyl-3-nitro-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-10-14(11(2)17(4)15-10)9-16(3)23(21,22)13-7-5-6-12(8-13)18(19)20/h5-8H,9H2,1-4H3