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

Systemtic Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H18N2O7S/c25-21(23-15-8-9-19-20(13-15)31-11-10-30-19)17-6-1-2-7-18(17)24-32(28,29)16-5-3-4-14(12-16)22(26)27/h1-9,12-13,24H,10-11H2,(H,23,25)(H,26,27)