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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

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