N,N-diethyl-4-(2-hydroxyethylsulfanyl)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(2-hydroxyethylsulfanyl)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(2-hydroxyethylsulfanyl)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(2-hydroxyethylthio)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(2-hydroxyethylsulfanyl)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(2-hydroxyethylthio)-3-nitro-benzenesulfonamide Formula: C12H18N2O5S2 MolecularWeight: 334.41172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCCO)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O5S2/c1-3-13(4-2)21(18,19)10-5-6-12(20-8-7-15)11(9-10)14(16)17/h5-6,9,15H,3-4,7-8H2,1-2H3