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

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1,3-dioxoisoindolin-2-yl)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1,3-dioxo-2-isoindolyl)ethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(2-phthalimidoethoxy)benzenesulfonamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-3-21(4-2)31(28,29)14-9-10-18(17(13-14)23(26)27)30-12-11-22-19(24)15-7-5-6-8-16(15)20(22)25/h5-10,13H,3-4,11-12H2,1-2H3