3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[(2R)-2-(methoxymethyl)pyrrolidino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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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)CN3CCCC3COC)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCC[C@@H]3COC)SC

InChI

InChI=1S/C21H28N2O4S2/c1-15-11-18(6-9-21(15)28-3)27-20-8-7-19(29(22,24)25)12-16(20)13-23-10-4-5-17(23)14-26-2/h6-9,11-12,17H,4-5,10,13-14H2,1-3H3,(H2,22,24,25)/t17-/m1/s1