N-[3-(3-methoxyphenyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[3-(3-methoxyphenyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[3-(3-methoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[3-(3-methoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(3-methoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[3-(3-methoxyphenyl)propyl]acetamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-28-18-10-3-6-15(12-18)7-5-11-20-19(23)14-21(29(2,26)27)16-8-4-9-17(13-16)22(24)25/h3-4,6,8-10,12-13H,5,7,11,14H2,1-2H3,(H,20,23)