N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(2-furfurylthio)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C14H16N2O5S2 MolecularWeight: 356.41724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCSCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCSCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S2/c1-23(19,20)12-4-5-13(14(9-12)16(17)18)15-6-8-22-10-11-3-2-7-21-11/h2-5,7,9,15H,6,8,10H2,1H3