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

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S2/c21-19-6-2-1-5-17(19)15-27-14-11-22-20(24)16-7-9-18(10-8-16)28(25,26)23-12-3-4-13-23/h1-2,5-10H,3-4,11-15H2,(H,22,24)