4-[[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(dimethylsulfamoyl)-2-pyridyl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(dimethylsulfamoyl)-2-pyridinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(dimethylsulfamoyl)-2-pyridyl]thio]methyl]-3-nitro-benzamide Formula: C15H16N4O5S2 MolecularWeight: 396.44134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5S2/c1-18(2)26(23,24)12-5-6-14(17-8-12)25-9-11-4-3-10(15(16)20)7-13(11)19(21)22/h3-8H,9H2,1-2H3,(H2,16,20)