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

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N4O4S/c1-10-11(8-15(2)14-10)9-16(3)22(20,21)13-6-4-5-12(7-13)17(18)19/h4-8H,9H2,1-3H3