2-(5-methyl-2-propan-2-yl-phenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-14(2)17-7-5-15(3)11-20(17)30-13-21(25)23-10-9-22-18-8-6-16(31(4,28)29)12-19(18)24(26)27/h5-8,11-12,14,22H,9-10,13H2,1-4H3,(H,23,25)