3-[[(2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[[(2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[(2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[(2S,4R)-4-hydroxy-2-methylol-pyrrolidino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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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)CN3CC(CC3CO)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3C[C@@H](C[C@H]3CO)O)SC

InChI

InChI=1S/C20H26N2O5S2/c1-13-7-17(3-6-20(13)28-2)27-19-5-4-18(29(21,25)26)8-14(19)10-22-11-16(24)9-15(22)12-23/h3-8,15-16,23-24H,9-12H2,1-2H3,(H2,21,25,26)/t15-,16+/m0/s1