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

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C21H20N4O8S MolecularWeight: 488.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O8S/c1-13-5-6-14(34(31,32)23-7-9-33-10-8-23)11-16(13)22-18(26)12-24-20(27)15-3-2-4-17(25(29)30)19(15)21(24)28/h2-6,11H,7-10,12H2,1H3,(H,22,26)