2-azanyl-N-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)sulfonyl-ethanamide

Systemtic Name: 2-azanyl-N-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)sulfonyl-ethanamide Openeye Name: 2-amino-N-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)sulfonyl-acetamide CAS Name: 2-amino-N-[3-nitro-4-(2-pyrimidinylthio)phenyl]sulfonylacetamide IUPAC Name: 2-amino-N-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)sulfonylacetamide Traditional Name: 2-amino-N-[3-nitro-4-(2-pyrimidylthio)phenyl]sulfonyl-acetamide Formula: C12H11N5O5S2 MolecularWeight: 369.37624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)S(=O)(=O)NC(=O)CN)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)S(=O)(=O)NC(=O)CN)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5S2/c13-7-11(18)16-24(21,22)8-2-3-10(9(6-8)17(19)20)23-12-14-4-1-5-15-12/h1-6H,7,13H2,(H,16,18)