(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-(m-tolylsulfamoyl)benzoate CAS Name: 2-methyl-5-[(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 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 2-methyl-5-(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=CC(=C(C=C2)C)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

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

InChI

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