N4,N4-dimethyl-N1-(3-methyl-1-phenyl-butyl)-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-N1-(3-methyl-1-phenyl-butyl)-2-nitro-benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-(3-methyl-1-phenyl-butyl)-2-nitro-benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-N1-(3-methyl-1-phenylbutyl)-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-1-N-(3-methyl-1-phenylbutyl)-2-nitrobenzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-(3-methyl-1-phenyl-butyl)-2-nitro-benzene-1,4-disulfonamide Formula: C19H25N3O6S2 MolecularWeight: 455.5483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S2/c1-14(2)12-17(15-8-6-5-7-9-15)20-29(25,26)19-11-10-16(13-18(19)22(23)24)30(27,28)21(3)4/h5-11,13-14,17,20H,12H2,1-4H3