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

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-5-bromanyl-furan-2-carboxamide Openeye Name: 5-bromo-N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]furan-2-carboxamide CAS Name: 5-bromo-N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]-2-furamide Formula: C14H13BrN2O6S MolecularWeight: 417.23182

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)Br)C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(OC(=C1)Br)C(=O)NC2=CC(=CC(=C2)SC[C@H](CO)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN2O6S/c15-13-2-1-12(23-13)14(20)16-8-3-9(17(21)22)5-11(4-8)24-7-10(19)6-18/h1-5,10,18-19H,6-7H2,(H,16,20)/t10-/m0/s1