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

Systemtic Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]butanoic acid Openeye Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]butanoic acid CAS Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]butanoic acid IUPAC Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]butanoic acid Traditional Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]butyric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S2/c1-15(21(18,19)8-4-7-13(16)17)9-12-14-10-5-2-3-6-11(10)20-12/h2-3,5-6H,4,7-9H2,1H3,(H,16,17)