5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-3-thenoic acid Formula: C19H14N2O7S2 MolecularWeight: 446.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=CS4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=CS4)C(=O)O

InChI

InChI=1S/C19H14N2O7S2/c22-18(20-12-5-6-15-16(8-12)28-10-27-15)13-3-1-2-4-14(13)21-30(25,26)17-7-11(9-29-17)19(23)24/h1-9,21H,10H2,(H,20,22)(H,23,24)