N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-morpholinosulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-morpholinosulfonylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=CC=CC=[N+]3[O-]

InChI

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