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

Systemtic Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]benzenesulfonamide Openeye Name: 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[(3S)-3-hydroxypyrrolidino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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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)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S2/c1-13-9-16(3-6-19(13)26-2)25-18-5-4-17(27(20,23)24)10-14(18)11-21-8-7-15(22)12-21/h3-6,9-10,15,22H,7-8,11-12H2,1-2H3,(H2,20,23,24)/t15-/m0/s1