1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-4-(4-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Traditional Name: 1-[4-(3-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(=C3)F

Isomeric SMILES

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

InChI

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