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

Systemtic Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzenesulfonamide Openeye Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzenesulfonamide CAS Name: 4-[3-methyl-4-(methylthio)phenoxy]-3-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]benzenesulfonamide IUPAC Name: 4-(3-methyl-4-methylsulfanylphenoxy)-3-[[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzenesulfonamide Traditional Name: 4-[3-methyl-4-(methylthio)phenoxy]-3-[[(2R)-2-(pyrrolidinomethyl)pyrrolidino]methyl]benzenesulfonamide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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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)CN3CCCC3CN4CCCC4)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCC[C@@H]3CN4CCCC4)SC

InChI

InChI=1S/C24H33N3O3S2/c1-18-14-21(7-10-24(18)31-2)30-23-9-8-22(32(25,28)29)15-19(23)16-27-13-5-6-20(27)17-26-11-3-4-12-26/h7-10,14-15,20H,3-6,11-13,16-17H2,1-2H3,(H2,25,28,29)/t20-/m1/s1