N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c1-5-21(6-2)28(25,26)17-13-16(11-10-14(17)3)20-19(23)15(4)27-18-9-7-8-12-22(18)24/h7-13,15H,5-6H2,1-4H3,(H,20,23)