N1-[2-(3,4-dimethoxyphenyl)ethyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[2-(3,4-dimethoxyphenyl)ethyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[2-(3,4-dimethoxyphenyl)ethyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[2-(3,4-dimethoxyphenyl)ethyl]-N1,N4,N4-trimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,4-N,4-N-trimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-homoveratryl-N,N',N'-trimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C19H25N3O8S2 MolecularWeight: 487.5471

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O8S2/c1-20(2)31(25,26)15-7-9-19(16(13-15)22(23)24)32(27,28)21(3)11-10-14-6-8-17(29-4)18(12-14)30-5/h6-9,12-13H,10-11H2,1-5H3