N-[2-(4-methylphenyl)sulfonyl-2-nitro-ethenyl]-3,5-bis(trifluoromethyl)aniline

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-nitro-ethenyl]-3,5-bis(trifluoromethyl)aniline Openeye Name: N-[2-nitro-2-(p-tolylsulfonyl)vinyl]-3,5-bis(trifluoromethyl)aniline CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-(2-nitro-2-tosyl-vinyl)amine Formula: C17H12F6N2O4S MolecularWeight: 454.343599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F6N2O4S/c1-10-2-4-14(5-3-10)30(28,29)15(25(26)27)9-24-13-7-11(16(18,19)20)6-12(8-13)17(21,22)23/h2-9,24H,1H3