(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[methyl(p-tolyl)sulfamoyl]benzoate CAS Name: 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(p-tolyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H22N2O8S MolecularWeight: 498.50508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C24H22N2O8S/c1-16-6-8-20(9-7-16)25(2)35(30,31)22-5-3-4-17(12-22)24(27)33-14-19-11-21(26(28)29)10-18-13-32-15-34-23(18)19/h3-12H,13-15H2,1-2H3