3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]propanoic acid

Systemtic Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]propanoic acid Openeye Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]propanoic acid CAS Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]propanoic acid IUPAC Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]propanoic acid Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]propionic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H14N2O4S2/c1-14(20(17,18)7-6-12(15)16)8-11-13-9-4-2-3-5-10(9)19-11/h2-5H,6-8H2,1H3,(H,15,16)