4-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C12H13ClN2O3S2 MolecularWeight: 332.82622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCl

InChI

InChI=1S/C12H13ClN2O3S2/c1-20(17,18)8-4-5-9-10(7-8)19-12(14-9)15-11(16)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,14,15,16)