2-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-chloro-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(2-chloro-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-chloro-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(2-chloro-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butyric acid Formula: C12H13ClN2O4S2 MolecularWeight: 348.82562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)Cl

InChI

InChI=1S/C12H13ClN2O4S2/c1-6(2)10(11(16)17)15-21(18,19)7-3-4-8-9(5-7)20-12(13)14-8/h3-6,10,15H,1-2H3,(H,16,17)