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

Systemtic Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-(ammoniomethyl)phenyl]methylsulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-(ammoniomethyl)benzyl]sulfonyl-(2-pyrimidyl)azanide Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)[N-]S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1=CN=C(N=C1)[N-]S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

InChI

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