N-(6-thiomorpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)methanesulfonamide

Systemtic Name: N-(6-thiomorpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)methanesulfonamide Openeye Name: N-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[6-[oxo(thiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C13H15N3O3S3 MolecularWeight: 357.4715

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCSCC3

Isomeric SMILES

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCSCC3

InChI

InChI=1S/C13H15N3O3S3/c1-22(18,19)15-13-14-10-3-2-9(8-11(10)21-13)12(17)16-4-6-20-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15)