2-methyl-N-[3-[[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]methyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[3-[[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]methyl]phenyl]propanamide Openeye Name: 2-methyl-N-[3-[[2-nitro-4-(trifluoromethylsulfonyl)anilino]methyl]phenyl]propanamide CAS Name: 2-methyl-N-[3-[[2-nitro-4-(trifluoromethylsulfonyl)anilino]methyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[3-[[2-nitro-4-(trifluoromethylsulfonyl)anilino]methyl]phenyl]propanamide Traditional Name: 2-methyl-N-[3-[(2-nitro-4-triflyl-anilino)methyl]phenyl]propionamide Formula: C18H18F3N3O5S MolecularWeight: 445.41283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O5S/c1-11(2)17(25)23-13-5-3-4-12(8-13)10-22-15-7-6-14(9-16(15)24(26)27)30(28,29)18(19,20)21/h3-9,11,22H,10H2,1-2H3,(H,23,25)