(2S)-N-(2-chloranyl-4-nitro-phenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2S)-N-(2-chloranyl-4-nitro-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: (2S)-2-benzylsulfanyl-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: (2S)-N-(2-chloro-4-nitrophenyl)-2-(phenylmethylthio)propanamide IUPAC Name: (2S)-2-benzylsulfanyl-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: (2S)-2-(benzylthio)-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C16H15ClN2O3S/c1-11(23-10-12-5-3-2-4-6-12)16(20)18-15-8-7-13(19(21)22)9-14(15)17/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m0/s1