3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[4-(2-hydroxyethyl)piperazino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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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)CCO)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S2/c1-16-13-18(3-6-21(16)29-2)28-20-5-4-19(30(22,26)27)14-17(20)15-24-9-7-23(8-10-24)11-12-25/h3-6,13-14,25H,7-12,15H2,1-2H3,(H2,22,26,27)