N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]ethanamide

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]ethanamide Openeye Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]acetamide CAS Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]acetamide IUPAC Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]acetamide Traditional Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]acetamide Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)SCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)SC[C@H](CO)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5S/c1-7(15)12-8-2-9(13(17)18)4-11(3-8)19-6-10(16)5-14/h2-4,10,14,16H,5-6H2,1H3,(H,12,15)/t10-/m0/s1