N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[6,6-bis(4-fluorophenyl)-1-oxohexyl]-3-pyrrolidinyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-2-(phenylthio)acetamide Formula: C31H34F2N2O2S MolecularWeight: 536.675666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)CSC2=CC=CC=C2)C(=O)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC1CNC(=O)CSC2=CC=CC=C2)C(=O)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H34F2N2O2S/c32-26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)8-4-5-9-31(37)35-19-18-23(21-35)20-34-30(36)22-38-28-6-2-1-3-7-28/h1-3,6-7,10-17,23,29H,4-5,8-9,18-22H2,(H,34,36)