N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-nitrophenyl)methanesulfonamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-nitrophenyl)methanesulfonamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-nitrophenyl)methanesulfonamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-nitrophenyl)methanesulfonamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-nitrophenyl)methanesulfonamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-1-(2-nitrophenyl)methanesulfonamide Formula: C16H12F6N2O4S MolecularWeight: 442.332899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F6N2O4S/c17-15(18,19)12-5-10(6-13(7-12)16(20,21)22)8-23-29(27,28)9-11-3-1-2-4-14(11)24(25)26/h1-7,23H,8-9H2