(2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C20H17ClN2O2S/c1-14-10-11-16(13-17(14)21)22-20(24)19(15-7-3-2-4-8-15)26-18-9-5-6-12-23(18)25/h2-13,19H,1H3,(H,22,24)/t19-/m0/s1