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

Systemtic Name: [2-[(1S)-1-azaniumylethyl]phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide Openeye Name: [2-[(1S)-1-azaniumylethyl]phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide CAS Name: [2-[(1S)-1-ammonioethyl]phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide IUPAC Name: [2-[(1S)-1-azaniumylethyl]phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide Traditional Name: [2-[(1S)-1-ammonioethyl]phenyl]-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azanide Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O2S/c1-8(14)11-6-4-5-7-12(11)17-20(18,19)13-9(2)15-16-10(13)3/h4-8H,14H2,1-3H3,(H,15,16)/q-1/p+1/t8-/m0/s1