1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[4-(4-fluorophenyl)sulfonylpiperazino]-4-(4-methoxyphenoxy)butan-1-one Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O5S/c1-28-18-6-8-19(9-7-18)29-16-2-3-21(25)23-12-14-24(15-13-23)30(26,27)20-10-4-17(22)5-11-20/h4-11H,2-3,12-16H2,1H3