N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-morpholin-4-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methoxy-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C21H25FN2O5S2 MolecularWeight: 468.562003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F)C(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F)C(=O)N3CCOCC3

InChI

InChI=1S/C21H25FN2O5S2/c1-28-20-7-6-17(14-18(20)21(25)24-9-11-29-12-10-24)31(26,27)23-8-13-30-15-16-4-2-3-5-19(16)22/h2-7,14,23H,8-13,15H2,1H3