[3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide

Systemtic Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide Openeye Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide CAS Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2,5-dimethyl-3-pyrazolyl)azanide IUPAC Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide Traditional Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2,5-dimethylpyrazol-3-yl)azanide Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O2S/c1-9-7-13(17(3)15-9)16-20(18,19)12-6-4-5-11(8-12)10(2)14/h4-8,10H,14H2,1-3H3/q-1/p+1/t10-/m0/s1