N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O7S/c1-4-23(5-2)33(31,32)18-10-14(7-6-13(18)3)22-19(26)12-24-20(27)16-9-8-15(25(29)30)11-17(16)21(24)28/h6-11H,4-5,12H2,1-3H3,(H,22,26)