N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-4-20(5-2)29(26,27)13-7-8-16(22)14(11-13)19-18(23)12-6-9-17(28-3)15(10-12)21(24)25/h6-11,22H,4-5H2,1-3H3,(H,19,23)