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

Systemtic Name: 3-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)sulfamoyl]phenyl]propionic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C18H18N2O7S/c21-17(22)8-3-12-1-5-14(6-2-12)28(24,25)20-19-18(23)13-4-7-15-16(11-13)27-10-9-26-15/h1-2,4-7,11,20H,3,8-10H2,(H,19,23)(H,21,22)