N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: homoveratryl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O6S/c1-19(10-9-13-5-8-17(25-2)18(11-13)26-3)15-7-6-14(27(4,23)24)12-16(15)20(21)22/h5-8,11-12H,9-10H2,1-4H3