N-[(3,4-diethoxyphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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