1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonyl-propan-1-one CAS Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-fluorophenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-3-(4-fluorophenyl)sulfonyl-propan-1-one Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O3S2/c1-15-3-4-16(2)21-20(15)24-22(30-21)26-12-10-25(11-13-26)19(27)9-14-31(28,29)18-7-5-17(23)6-8-18/h3-8H,9-14H2,1-2H3