3-[4-(phenylsulfonyl)-5-sulfamoyl-thiophen-3-yl]propanoic acid

Systemtic Name: 3-[4-(phenylsulfonyl)-5-sulfamoyl-thiophen-3-yl]propanoic acid Openeye Name: 3-[4-(benzenesulfonyl)-5-sulfamoyl-3-thienyl]propanoic acid CAS Name: 3-[4-(benzenesulfonyl)-5-sulfamoyl-3-thiophenyl]propanoic acid IUPAC Name: 3-[4-(benzenesulfonyl)-5-sulfamoylthiophen-3-yl]propanoic acid Traditional Name: 3-(4-besyl-5-sulfamoyl-3-thienyl)propionic acid Formula: C13H13NO6S3 MolecularWeight: 375.44042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2CCC(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2CCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H13NO6S3/c14-23(19,20)13-12(9(8-21-13)6-7-11(15)16)22(17,18)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H,15,16)(H2,14,19,20)