2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-[2-(2-furylmethylsulfanyl)ethyl]butanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(2-furanylmethylthio)ethyl]butanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-[2-(2-furfurylthio)ethyl]butyramide Formula: C18H23FN2O4S2 MolecularWeight: 414.514623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=CO1)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CO1)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C18H23FN2O4S2/c1-3-17(18(22)20-10-12-26-13-16-5-4-11-25-16)21(27(2,23)24)15-8-6-14(19)7-9-15/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,20,22)