1-(4-fluorophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

InChI

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