N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H22N4O8S MolecularWeight: 502.49708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O8S/c1-34-18-9-8-14(35(32,33)24-10-3-2-4-11-24)12-16(18)23-19(27)13-25-21(28)15-6-5-7-17(26(30)31)20(15)22(25)29/h5-9,12H,2-4,10-11,13H2,1H3,(H,23,27)