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

Systemtic Name: N-[1-(4-ethoxyphenyl)ethyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[1-(4-ethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[1-(4-ethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[1-(4-ethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(1-p-phenetylethyl)acetamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O6S/c1-5-29-18-10-7-16(8-11-18)15(3)21-20(24)13-22(30(4,27)28)19-12-17(23(25)26)9-6-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,21,24)