N-(2,6-dimethylphenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(2,6-dimethylphenyl)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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