N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]furan-2-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-[3-[(4-fluorophenyl)thio]propyl]-2-furancarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]furan-2-carboxamide Traditional Name: 3-(besylmethyl)-N-[3-[(4-fluorophenyl)thio]propyl]-2-furamide Formula: C21H20FNO4S2 MolecularWeight: 433.516203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=C(OC=C2)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(OC=C2)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S2/c22-17-7-9-18(10-8-17)28-14-4-12-23-21(24)20-16(11-13-27-20)15-29(25,26)19-5-2-1-3-6-19/h1-3,5-11,13H,4,12,14-15H2,(H,23,24)