4-(4-fluorophenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-fluorophenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-fluorophenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-fluorophenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-fluorophenyl)sulfonyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O3S2/c1-16-4-9-19-20(15-16)30-22(24-19)26-12-10-25(11-13-26)21(27)3-2-14-31(28,29)18-7-5-17(23)6-8-18/h4-9,15H,2-3,10-14H2,1H3