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

Systemtic Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)sulfamoyl]phenyl]propionic acid Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C22H21NO6S2/c24-22(25)10-5-16-3-7-19(8-4-16)31(26,27)23(15-18-2-1-13-30-18)17-6-9-20-21(14-17)29-12-11-28-20/h1-4,6-9,13-14H,5,10-12,15H2,(H,24,25)