N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC=[N+]2[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC=[N+]2[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O5S2/c1-14-6-7-16(13-17(14)29(25,26)21-9-11-27-12-10-21)20-19(23)15(2)28-18-5-3-4-8-22(18)24/h3-8,13,15H,9-12H2,1-2H3,(H,20,23)