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

Systemtic Name: N-[3-(2-ethoxyphenyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[3-(2-ethoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[3-(2-ethoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(2-ethoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3-o-phenetylpropyl)acetamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C20H25N3O6S/c1-3-29-19-12-5-4-8-16(19)9-7-13-21-20(24)15-22(30(2,27)28)17-10-6-11-18(14-17)23(25)26/h4-6,8,10-12,14H,3,7,9,13,15H2,1-2H3,(H,21,24)