methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-5-bromanyl-benzoate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-5-bromo-benzoate CAS Name: 2-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]sulfamoyl]-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-5-bromobenzoate Traditional Name: 5-bromo-2-[(piperonyloylamino)sulfamoyl]benzoic acid methyl ester Formula: C16H13BrN2O7S MolecularWeight: 457.25262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13BrN2O7S/c1-24-16(21)11-7-10(17)3-5-14(11)27(22,23)19-18-15(20)9-2-4-12-13(6-9)26-8-25-12/h2-7,19H,8H2,1H3,(H,18,20)