(2R)-N-(4-acetamidophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17N3O3S/c1-11(23-15-5-3-4-10-19(15)22)16(21)18-14-8-6-13(7-9-14)17-12(2)20/h3-11H,1-2H3,(H,17,20)(H,18,21)/t11-/m1/s1