N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-homoveratryl-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O8S/c1-29-17-8-6-15(23(25)26)12-16(17)22(32(4,27)28)13-20(24)21-10-9-14-5-7-18(30-2)19(11-14)31-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,24)