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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: homoveratryl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H20N2O6S/c1-24-16-7-4-12(10-17(16)25-2)8-9-18-14-6-5-13(26(3,22)23)11-15(14)19(20)21/h4-7,10-11,18H,8-9H2,1-3H3