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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O8S/c26-19(13-24-20(27)17-6-3-15(25(29)30)11-18(17)21(24)28)22-12-14-1-4-16(5-2-14)34(31,32)23-7-9-33-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,26)