1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(4-methylphenoxy)-2-propanol IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(4-methylphenoxy)propan-2-ol Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)O

InChI

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