4-fluoranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[2-[(2-fluorobenzyl)thio]ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H22F2N2O3S2 MolecularWeight: 440.527086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3F)F

InChI

InChI=1S/C20H22F2N2O3S2/c21-17-6-2-1-5-16(17)14-28-12-9-23-20(25)15-7-8-18(22)19(13-15)29(26,27)24-10-3-4-11-24/h1-2,5-8,13H,3-4,9-12,14H2,(H,23,25)