3-[[(3S)-3-fluoranylpyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[[(3S)-3-fluoranylpyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[(3S)-3-fluoro-1-pyrrolidinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[(3S)-3-fluoropyrrolidino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C19H23FN2O3S2 MolecularWeight: 410.525923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCC(C3)F)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CC[C@@H](C3)F)SC

InChI

InChI=1S/C19H23FN2O3S2/c1-13-9-16(3-6-19(13)26-2)25-18-5-4-17(27(21,23)24)10-14(18)11-22-8-7-15(20)12-22/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H2,21,23,24)/t15-/m0/s1