[3-(azaniumylmethyl)phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide

Systemtic Name: [3-(azaniumylmethyl)phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide Openeye Name: [3-(azaniumylmethyl)phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide CAS Name: [3-(ammoniomethyl)phenyl]sulfonyl-(2,5-dimethyl-3-pyrazolyl)azanide IUPAC Name: [3-(azaniumylmethyl)phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide Traditional Name: [3-(ammoniomethyl)phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide Formula: C12H16N4O2S MolecularWeight: 280.34604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C[NH3+])C

Isomeric SMILES

CC1=NN(C(=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C[NH3+])C

InChI

InChI=1S/C12H15N4O2S/c1-9-6-12(16(2)14-9)15-19(17,18)11-5-3-4-10(7-11)8-13/h3-7H,8,13H2,1-2H3/q-1/p+1