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

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-14-5-6-15(28(24,25)20-8-10-26-11-9-20)12-16(14)19-17(22)13-27-18-4-2-3-7-21(18)23/h2-7,12H,8-11,13H2,1H3,(H,19,22)