1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-methylphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]-4-tosyl-butan-1-one Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H24FN3O3S2/c1-16-7-9-17(10-8-16)31(28,29)15-3-6-20(27)25-11-13-26(14-12-25)22-24-21-18(23)4-2-5-19(21)30-22/h2,4-5,7-10H,3,6,11-15H2,1H3