N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-morpholino-5-morpholinosulfonyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-morpholino-5-morpholinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H26N4O6S2/c26-20(16-32-21-3-1-2-6-25(21)27)22-18-15-17(33(28,29)24-9-13-31-14-10-24)4-5-19(18)23-7-11-30-12-8-23/h1-6,15H,7-14,16H2,(H,22,26)