N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-p-anisyl-acetamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6S/c1-31-20-12-10-17(11-13-20)15-23-22(26)16-24(18-6-5-7-19(14-18)25(27)28)32(29,30)21-8-3-2-4-9-21/h2-14H,15-16H2,1H3,(H,23,26)