4-fluoranyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[3-[(4-fluorophenyl)thio]propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[3-[(4-fluorophenyl)thio]propyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H22F2N2O3S2 MolecularWeight: 440.527086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCSC3=CC=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCSC3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N2O3S2/c21-16-5-7-17(8-6-16)28-13-3-10-23-20(25)15-4-9-18(22)19(14-15)29(26,27)24-11-1-2-12-24/h4-9,14H,1-3,10-13H2,(H,23,25)