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

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]propanamide Openeye Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]propanamide CAS Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]propanamide IUPAC Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]propanamide Traditional Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]propionamide Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-2-12(17)13-8-3-9(14(18)19)5-11(4-8)20-7-10(16)6-15/h3-5,10,15-16H,2,6-7H2,1H3,(H,13,17)/t10-/m0/s1