[2-(azaniumylmethyl)phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide

Systemtic Name: [2-(azaniumylmethyl)phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide Openeye Name: [2-(azaniumylmethyl)phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide CAS Name: [2-(ammoniomethyl)phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide IUPAC Name: [2-(azaniumylmethyl)phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide Traditional Name: [2-(ammoniomethyl)phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)[N-]C2=CC=CC=C2C[NH3+]

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)[N-]C2=CC=CC=C2C[NH3+]

InChI

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