N-(4-bromophenyl)sulfanyl-N-hexyl-4-[methyl(propyl)amino]-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-(4-bromophenyl)sulfanyl-N-hexyl-4-[methyl(propyl)amino]-3,5-dinitro-benzenesulfonamide Openeye Name: N-(4-bromophenyl)sulfanyl-N-hexyl-4-[methyl(propyl)amino]-3,5-dinitro-benzenesulfonamide CAS Name: N-[(4-bromophenyl)thio]-N-hexyl-4-[methyl(propyl)amino]-3,5-dinitrobenzenesulfonamide IUPAC Name: N-(4-bromophenyl)sulfanyl-N-hexyl-4-[methyl(propyl)amino]-3,5-dinitrobenzenesulfonamide Traditional Name: N-[(4-bromophenyl)thio]-N-hexyl-4-[methyl(propyl)amino]-3,5-dinitro-benzenesulfonamide Formula: C22H29BrN4O6S2 MolecularWeight: 589.52286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(SC1=CC=C(C=C1)Br)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N(C)CCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(SC1=CC=C(C=C1)Br)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N(C)CCC)[N+](=O)[O-]

InChI

InChI=1S/C22H29BrN4O6S2/c1-4-6-7-8-14-25(34-18-11-9-17(23)10-12-18)35(32,33)19-15-20(26(28)29)22(24(3)13-5-2)21(16-19)27(30)31/h9-12,15-16H,4-8,13-14H2,1-3H3