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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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