4-(diethylamino)-N-methyl-3,5-dinitro-N-phenylsulfanyl-benzenesulfonamide

Systemtic Name: 4-(diethylamino)-N-methyl-3,5-dinitro-N-phenylsulfanyl-benzenesulfonamide Openeye Name: 4-(diethylamino)-N-methyl-3,5-dinitro-N-phenylsulfanyl-benzenesulfonamide CAS Name: 4-(diethylamino)-N-methyl-3,5-dinitro-N-(phenylthio)benzenesulfonamide IUPAC Name: 4-(diethylamino)-N-methyl-3,5-dinitro-N-phenylsulfanylbenzenesulfonamide Traditional Name: 4-(diethylamino)-N-methyl-3,5-dinitro-N-(phenylthio)benzenesulfonamide Formula: C17H20N4O6S2 MolecularWeight: 440.4939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6S2/c1-4-19(5-2)17-15(20(22)23)11-14(12-16(17)21(24)25)29(26,27)18(3)28-13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3