2-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-ethanamide bromide

Systemtic Name: 2-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-ethanamide bromide Openeye Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-acetamide bromide CAS Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylacetamide bromide IUPAC Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylacetamide bromide Traditional Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-N-mesyl-acetamide bromide Formula: C11H12BrClN2O3S2 MolecularWeight: 399.71158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC(=O)NS(=O)(=O)C.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC(=O)NS(=O)(=O)C.[Br-]

InChI

InChI=1S/C11H11ClN2O3S2.BrH/c1-7-14(6-11(15)13-19(2,16)17)9-5-8(12)3-4-10(9)18-7;/h3-5H,6H2,1-2H3;1H