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

Systemtic Name: N1-[(2,4-dimethylphenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[(2,4-dimethylphenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[(2,4-dimethylphenyl)methyl]-N1,N4,N4-trimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-N,4-N-trimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-(2,4-dimethylbenzyl)-N,N',N'-trimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H23N3O6S2/c1-13-6-7-15(14(2)10-13)12-20(5)29(26,27)18-9-8-16(11-17(18)21(22)23)28(24,25)19(3)4/h6-11H,12H2,1-5H3