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

Systemtic Name: 1-(2,5-dimethylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(2,5-dimethylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(2,5-dimethylphenoxy)-3-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(2,5-dimethylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(2,5-dimethylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazino]propan-2-ol Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)O

InChI

InChI=1S/C21H27FN2O4S/c1-16-7-8-17(2)20(13-16)28-15-18(25)14-23-9-11-24(12-10-23)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,18,25H,9-12,14-15H2,1-2H3