[3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Systemtic Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Openeye Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide CAS Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(4,6-dimethyl-2-pyrimidinyl)azanide IUPAC Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Traditional Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(C)[NH3+])C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=CC(=C2)[C@H](C)[NH3+])C

InChI

InChI=1S/C14H17N4O2S/c1-9-7-10(2)17-14(16-9)18-21(19,20)13-6-4-5-12(8-13)11(3)15/h4-8,11H,15H2,1-3H3/q-1/p+1/t11-/m0/s1