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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C20H18N4O7S MolecularWeight: 458.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O7S/c25-18(12-23-19(26)16-8-5-14(24(28)29)11-17(16)20(23)27)21-13-3-6-15(7-4-13)32(30,31)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,21,25)