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

Systemtic Name: 3-(3,5-dimethylphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethylphenoxy)-1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethylphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN2O4S/c1-16-13-17(2)15-18(14-16)28-12-7-21(25)23-8-10-24(11-9-23)29(26,27)20-6-4-3-5-19(20)22/h3-6,13-15H,7-12H2,1-2H3