(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2S)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-p-cumenyl-propionamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-12(2)14-7-9-15(10-8-14)18-17(20)13(3)22-16-6-4-5-11-19(16)21/h4-13H,1-3H3,(H,18,20)/t13-/m0/s1