3-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)sulfamoyl]-4-methyl-benzoic acid Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16N2O7S/c1-10-2-3-12(17(21)22)9-15(10)27(23,24)19-18-16(20)11-4-5-13-14(8-11)26-7-6-25-13/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)(H,21,22)