N-[3-(3,4-dimethoxyphenyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S/c1-29-18-10-9-15(12-19(18)30-2)6-5-11-21-20(24)14-22(31(3,27)28)16-7-4-8-17(13-16)23(25)26/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H,21,24)