4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2-furylmethylsulfanyl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2-furanylmethylthio)ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2-furfurylthio)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C14H17N3O5S2 MolecularWeight: 371.43188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S2/c1-15-24(20,21)12-4-5-13(14(9-12)17(18)19)16-6-8-23-10-11-3-2-7-22-11/h2-5,7,9,15-16H,6,8,10H2,1H3