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

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(1-pyrrolidinylsulfonylmethyl)benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-(pyrrolidinosulfonylmethyl)benzamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O3S2/c22-20-6-2-1-5-19(20)15-28-14-11-23-21(25)18-9-7-17(8-10-18)16-29(26,27)24-12-3-4-13-24/h1-2,5-10H,3-4,11-16H2,(H,23,25)