[5-(2-azaniumylethyl)-2-methoxy-phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [5-(2-azaniumylethyl)-2-methoxy-phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [5-(2-azaniumylethyl)-2-methoxy-phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [5-(2-ammonioethyl)-2-methoxyphenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [5-(2-azaniumylethyl)-2-methoxyphenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [5-(2-ammonioethyl)-2-methoxy-phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH3+])S(=O)(=O)[N-]C2=NC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH3+])S(=O)(=O)[N-]C2=NC=CC=N2

InChI

InChI=1S/C13H15N4O3S/c1-20-11-4-3-10(5-6-14)9-12(11)21(18,19)17-13-15-7-2-8-16-13/h2-4,7-9H,5-6,14H2,1H3/q-1/p+1