(2S)-N-(methylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-(methylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(methylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-(methylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-16-15(20)17-14(19)13(11-7-3-2-4-8-11)22-12-9-5-6-10-18(12)21/h2-10,13H,1H3,(H2,16,17,19,20)/t13-/m0/s1