4-(3-methyl-4-methylsulfanyl-phenoxy)-3-(piperidin-1-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-(piperidin-1-ylmethyl)benzenesulfonamide Openeye Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-(1-piperidylmethyl)benzenesulfonamide CAS Name: 4-[3-methyl-4-(methylthio)phenoxy]-3-(1-piperidinylmethyl)benzenesulfonamide IUPAC Name: 4-(3-methyl-4-methylsulfanylphenoxy)-3-(piperidin-1-ylmethyl)benzenesulfonamide Traditional Name: 4-[3-methyl-4-(methylthio)phenoxy]-3-(piperidinomethyl)benzenesulfonamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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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)CN3CCCCC3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCCCC3)SC

InChI

InChI=1S/C20H26N2O3S2/c1-15-12-17(6-9-20(15)26-2)25-19-8-7-18(27(21,23)24)13-16(19)14-22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H2,21,23,24)