N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methoxy-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

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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)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F)C(=O)N3CCCC3

InChI

InChI=1S/C21H25FN2O4S2/c1-28-20-9-8-17(14-18(20)21(25)24-11-4-5-12-24)30(26,27)23-10-13-29-15-16-6-2-3-7-19(16)22/h2-3,6-9,14,23H,4-5,10-13,15H2,1H3