4-[[5-[(4-carboxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxin-7-yl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[5-[(4-carboxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxin-7-yl]sulfonylamino]benzoic acid Openeye Name: 4-[[5-[(4-carboxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxin-7-yl]sulfonylamino]benzoic acid CAS Name: 4-[[5-[(4-carboxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxin-7-yl]sulfonylamino]benzoic acid IUPAC Name: 4-[[5-[(4-carboxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxin-7-yl]sulfonylamino]benzoic acid Traditional Name: 4-[[5-[(4-carboxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxin-7-yl]sulfonylamino]benzoic acid Formula: C22H18N2O10S2 MolecularWeight: 534.51572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2O1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2O1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N2O10S2/c25-21(26)13-1-5-15(6-2-13)23-35(29,30)17-11-18-20(34-10-9-33-18)19(12-17)36(31,32)24-16-7-3-14(4-8-16)22(27)28/h1-8,11-12,23-24H,9-10H2,(H,25,26)(H,27,28)