(2S)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-(2-hydroxy-5-nitro-benzyl)-2-(phenylthio)propionamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)SC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4S/c1-11(23-14-5-3-2-4-6-14)16(20)17-10-12-9-13(18(21)22)7-8-15(12)19/h2-9,11,19H,10H2,1H3,(H,17,20)/t11-/m0/s1