N1-[3-(2,4-dimethylphenyl)propyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[3-(2,4-dimethylphenyl)propyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[3-(2,4-dimethylphenyl)propyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[3-(2,4-dimethylphenyl)propyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[3-(2,4-dimethylphenyl)propyl]-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-[3-(2,4-dimethylphenyl)propyl]-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C19H25N3O6S2 MolecularWeight: 455.5483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N3O6S2/c1-14-7-8-16(15(2)12-14)6-5-11-20-29(25,26)19-10-9-17(13-18(19)22(23)24)30(27,28)21(3)4/h7-10,12-13,20H,5-6,11H2,1-4H3