N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-(trifluoromethoxy)benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(trifluoromethoxy)benzamide Formula: C17H16F3N3O6S MolecularWeight: 447.38565

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N3O6S/c1-30(27,28)13-6-7-14(15(10-13)23(25)26)21-8-9-22-16(24)11-2-4-12(5-3-11)29-17(18,19)20/h2-7,10,21H,8-9H2,1H3,(H,22,24)