1-(2,5-dimethylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(2,5-dimethylphenoxy)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-2-ol CAS Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(2,5-dimethylphenoxy)-3-(4-tosylpiperazino)propan-2-ol Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=C(C=CC(=C3)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=C(C=CC(=C3)C)C)O

InChI

InChI=1S/C22H30N2O4S/c1-17-5-8-21(9-6-17)29(26,27)24-12-10-23(11-13-24)15-20(25)16-28-22-14-18(2)4-7-19(22)3/h4-9,14,20,25H,10-13,15-16H2,1-3H3