[2-[2,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[2,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,4-difluorophenyl)-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-(2,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluorophenyl)-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-(2,4-difluorophenyl)-2-keto-ethyl] ester Formula: C24H26F2N2O5S MolecularWeight: 492.535446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCC(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCC(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H26F2N2O5S/c25-17-6-8-19(21(26)14-17)23(29)16-33-24(30)20-15-18(7-9-22(20)27-10-4-5-11-27)34(31,32)28-12-2-1-3-13-28/h6-9,14-15H,1-5,10-13,16H2