4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid

Systemtic Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid Openeye Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid CAS Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid IUPAC Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid Traditional Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]butyric acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)CCCC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C12H14N2O4S2/c1-8-13-10-5-4-9(7-11(10)19-8)14-20(17,18)6-2-3-12(15)16/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)