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

Systemtic Name: N-[3-(diethylsulfamoyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[3-(diethylsulfamoyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[3-(diethylsulfamoyl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[3-(diethylsulfamoyl)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[3-(diethylsulfamoyl)phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-4-20(5-2)28(25,26)15-8-6-7-14(12-15)19-18(22)13-9-10-17(27-3)16(11-13)21(23)24/h6-12H,4-5H2,1-3H3,(H,19,22)