N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-acetamide Formula: C14H18N3O4S2+ MolecularWeight: 356.44042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C14H17N3O4S2/c1-23(19,20)10-2-3-11-12(8-10)22-14(15-11)16-13(18)9-17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,16,18)/p+1