2-[2-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2,3-dimethoxyphenyl)-4-oxo-1-(p-tolylsulfonyl)azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2,3-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2,3-dimethoxyphenyl)-4-keto-1-tosyl-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C26H21N3O9S MolecularWeight: 551.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C26H21N3O9S/c1-14-10-12-15(13-11-14)39(35,36)28-21(17-7-5-9-19(37-2)23(17)38-3)22(26(28)32)27-24(30)16-6-4-8-18(29(33)34)20(16)25(27)31/h4-13,21-22H,1-3H3