3-[4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(3-methylbenzofuran-2-carbonyl)amino]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(3-methylbenzofuran-2-carbonyl)amino]sulfamoyl]phenyl]propionic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C19H18N2O6S/c1-12-15-4-2-3-5-16(15)27-18(12)19(24)20-21-28(25,26)14-9-6-13(7-10-14)8-11-17(22)23/h2-7,9-10,21H,8,11H2,1H3,(H,20,24)(H,22,23)