N1-[(2-bromophenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[(2-bromophenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[(2-bromophenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[(2-bromophenyl)methyl]-N1,N4,N4-trimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[(2-bromophenyl)methyl]-1-N,4-N,4-N-trimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-(2-bromobenzyl)-N,N',N'-trimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C16H18BrN3O6S2 MolecularWeight: 492.36462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN3O6S2/c1-18(2)27(23,24)13-8-9-16(15(10-13)20(21)22)28(25,26)19(3)11-12-6-4-5-7-14(12)17/h4-10H,11H2,1-3H3