4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-dioxoisoindolin-2-yl)butoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1,3-dioxo-2-isoindolyl)butoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-dioxoisoindol-2-yl)butoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(4-phthalimidobutoxy)benzenesulfonamide Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-3-23(4-2)33(30,31)16-11-12-20(19(15-16)25(28)29)32-14-8-7-13-24-21(26)17-9-5-6-10-18(17)22(24)27/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3