N-[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-phenyl]-4-fluoro-benzamide CAS Name: N-[3-(2,3-dihydroxypropylthio)-5-nitrophenyl]-4-fluorobenzamide IUPAC Name: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[3-(glycerylthio)-5-nitro-phenyl]benzamide Formula: C16H15FN2O5S MolecularWeight: 366.364103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-])F

InChI

InChI=1S/C16H15FN2O5S/c17-11-3-1-10(2-4-11)16(22)18-12-5-13(19(23)24)7-15(6-12)25-9-14(21)8-20/h1-7,14,20-21H,8-9H2,(H,18,22)