4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]benzenesulfonamide

Systemtic Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]benzenesulfonamide Openeye Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]benzenesulfonamide CAS Name: 4-[3-methyl-4-(methylthio)phenoxy]-3-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-(3-methyl-4-methylsulfanylphenoxy)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]benzenesulfonamide Traditional Name: 4-[3-methyl-4-(methylthio)phenoxy]-3-[[4-(1-methyl-4-piperidyl)piperazino]methyl]benzenesulfonamide Formula: C25H36N4O3S2 MolecularWeight: 504.70834

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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)CN3CCN(CC3)C4CCN(CC4)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCN(CC3)C4CCN(CC4)C)SC

InChI

InChI=1S/C25H36N4O3S2/c1-19-16-22(4-7-25(19)33-3)32-24-6-5-23(34(26,30)31)17-20(24)18-28-12-14-29(15-13-28)21-8-10-27(2)11-9-21/h4-7,16-17,21H,8-15,18H2,1-3H3,(H2,26,30,31)