3-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3,4-dimethyl-5-[(piperonyloylamino)sulfamoyl]benzoic acid Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H16N2O7S/c1-9-5-12(17(21)22)7-15(10(9)2)27(23,24)19-18-16(20)11-3-4-13-14(6-11)26-8-25-13/h3-7,19H,8H2,1-2H3,(H,18,20)(H,21,22)