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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C22H22N4O8S MolecularWeight: 502.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22N4O8S/c1-14-5-6-15(13-18(14)35(32,33)24-9-11-34-12-10-24)23-19(27)7-8-25-21(28)16-3-2-4-17(26(30)31)20(16)22(25)29/h2-6,13H,7-12H2,1H3,(H,23,27)