N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(difluoromethylthio)phenyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(difluoromethylthio)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H21F2N3O5S2 MolecularWeight: 485.524646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C20H21F2N3O5S2/c1-13-6-7-15(25(27)28)12-18(13)32(29,30)24-10-8-14(9-11-24)19(26)23-16-4-2-3-5-17(16)31-20(21)22/h2-7,12,14,20H,8-11H2,1H3,(H,23,26)