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

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S2/c1-6-23(7-2)31(28,29)15-9-10-17(22(3)4)16(13-15)21-20(25)14-8-11-19(30-5)18(12-14)24(26)27/h8-13H,6-7H2,1-5H3,(H,21,25)