5-nitro-2-[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-[5-(1-piperidylsulfonyl)indolin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(5-piperidinosulfonylindolin-1-yl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H22N4O7S MolecularWeight: 498.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O7S/c28-21(14-26-22(29)18-6-4-16(27(31)32)13-19(18)23(26)30)25-11-8-15-12-17(5-7-20(15)25)35(33,34)24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11,14H2