N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-(2,6-dimethylphenyl)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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