1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(4-methylphenyl)sulfonylphenoxy]propan-2-ol

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(4-methylphenyl)sulfonylphenoxy]propan-2-ol Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(p-tolylsulfonyl)phenoxy]propan-2-ol CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-3-[4-(4-methylphenyl)sulfonylphenoxy]-2-propanol IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(4-methylphenyl)sulfonylphenoxy]propan-2-ol Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-3-(4-tosylphenoxy)propan-2-ol Formula: C26H29ClN2O4S MolecularWeight: 501.03746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C26H29ClN2O4S/c1-20-6-10-23(11-7-20)34(31,32)24-12-8-22(9-13-24)33-19-21(30)18-28-14-16-29(17-15-28)26-5-3-2-4-25(26)27/h2-13,21,30H,14-19H2,1H3