4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C23H21ClN2O6S2 MolecularWeight: 521.00564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4)[N+](=O)[O-])C

InChI

InChI=1S/C23H21ClN2O6S2/c1-14-3-5-20(15(2)7-14)25-34(29,30)19-4-6-22(21(10-19)26(27)28)33-12-17-9-18(24)8-16-11-31-13-32-23(16)17/h3-10,25H,11-13H2,1-2H3