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

Systemtic Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[4-(4-chlorophenyl)piperazino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C25H28ClN3O3S2 MolecularWeight: 518.09112

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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)C4=CC=C(C=C4)Cl)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCN(CC3)C4=CC=C(C=C4)Cl)SC

InChI

InChI=1S/C25H28ClN3O3S2/c1-18-15-22(7-10-25(18)33-2)32-24-9-8-23(34(27,30)31)16-19(24)17-28-11-13-29(14-12-28)21-5-3-20(26)4-6-21/h3-10,15-16H,11-14,17H2,1-2H3,(H2,27,30,31)