N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(3,5-dimethylphenyl)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O5S/c1-16-11-17(2)13-18(12-16)23-22(26)15-24(19-7-6-8-20(14-19)25(27)28)31(29,30)21-9-4-3-5-10-21/h3-14H,15H2,1-2H3,(H,23,26)