N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C25H30N4O8S MolecularWeight: 546.5927

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O8S/c1-4-27(5-2)38(35,36)17-13-14-21(37-3)19(16-17)26-22(30)12-7-6-8-15-28-24(31)18-10-9-11-20(29(33)34)23(18)25(28)32/h9-11,13-14,16H,4-8,12,15H2,1-3H3,(H,26,30)