2-[ethyl-(4-methylsulfonyl-2-nitro-phenyl)amino]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[ethyl-(4-methylsulfonyl-2-nitro-phenyl)amino]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(N-ethyl-4-methylsulfonyl-2-nitro-anilino)-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(N-ethyl-4-methylsulfonyl-2-nitroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(N-ethyl-4-methylsulfonyl-2-nitroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(N-ethyl-4-mesyl-2-nitro-anilino)-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C18H18F3N3O5S MolecularWeight: 445.41283

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O5S/c1-3-23(15-9-8-12(30(2,28)29)10-16(15)24(26)27)11-17(25)22-14-7-5-4-6-13(14)18(19,20)21/h4-10H,3,11H2,1-2H3,(H,22,25)