N-[3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(2-bromo-5-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(2-bromo-5-methyl-phenyl)sulfamoyl]phenyl]-piperonylamide Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17BrN2O5S/c1-13-5-7-17(22)18(9-13)24-30(26,27)16-4-2-3-15(11-16)23-21(25)14-6-8-19-20(10-14)29-12-28-19/h2-11,24H,12H2,1H3,(H,23,25)