1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-fluoranylphenoxy)butan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-fluoranylphenoxy)butan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenoxy)butan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(4-fluorophenoxy)-1-butanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenoxy)butan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-(4-fluorophenoxy)butan-1-one Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-17-5-6-18(2)21(16-17)30(27,28)25-13-11-24(12-14-25)22(26)4-3-15-29-20-9-7-19(23)8-10-20/h5-10,16H,3-4,11-15H2,1-2H3