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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7S/c26-19(13-24-20(27)17-8-7-15(25(29)30)12-18(17)21(24)28)22-14-5-4-6-16(11-14)33(31,32)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13H2,(H,22,26)