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

Systemtic Name: N-(6-thiomorpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Openeye Name: N-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: N-[6-[oxo(thiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: N-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: N-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H17N3O3S3/c22-17(21-8-10-25-11-9-21)13-6-7-15-16(12-13)26-18(19-15)20-27(23,24)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,19,20)