N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S/c1-13-6-8-16(23(25)26)11-17(13)22(31(5,27)28)12-20(24)21-14(2)15-7-9-18(29-3)19(10-15)30-4/h6-11,14H,12H2,1-5H3,(H,21,24)