[2-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [2-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-yl-azanide Openeye Name: [2-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-yl-azanide CAS Name: [2-(ammoniomethyl)phenyl]methylsulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [2-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-ylazanide Traditional Name: [2-(ammoniomethyl)benzyl]sulfonyl-(2-pyrimidyl)azanide Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])CS(=O)(=O)[N-]C2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])CS(=O)(=O)[N-]C2=NC=CC=N2

InChI

InChI=1S/C12H13N4O2S/c13-8-10-4-1-2-5-11(10)9-19(17,18)16-12-14-6-3-7-15-12/h1-7H,8-9,13H2/q-1/p+1