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

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H28N4O5S2/c1-3-23(4-2)19-9-8-17(32(28,29)24-11-13-30-14-12-24)15-18(19)22-20(26)16-31-21-7-5-6-10-25(21)27/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,22,26)