N-(3-morpholin-4-ylsulfonylphenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(3-morpholinosulfonylphenyl)acetamide Formula: C20H18N4O8S MolecularWeight: 474.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O8S/c25-18(12-23-19(26)16-5-4-14(24(28)29)11-17(16)20(23)27)21-13-2-1-3-15(10-13)33(30,31)22-6-8-32-9-7-22/h1-5,10-11H,6-9,12H2,(H,21,25)