N,N-diethyl-3-nitro-4-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 4-benzylsulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(phenylmethylthio)benzenesulfonamide IUPAC Name: 4-benzylsulfanyl-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylthio)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-3-18(4-2)25(22,23)15-10-11-17(16(12-15)19(20)21)24-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3