1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Openeye Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one CAS Name: 1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-4-(4-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Traditional Name: 1-[4-(2-fluorophenyl)sulfonylpiperazino]-4-(4-methylphenoxy)butan-1-one Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-17-8-10-18(11-9-17)28-16-4-7-21(25)23-12-14-24(15-13-23)29(26,27)20-6-3-2-5-19(20)22/h2-3,5-6,8-11H,4,7,12-16H2,1H3