1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone Openeye Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone CAS Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-fluorophenyl)sulfonylethanone IUPAC Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylethanone Traditional Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-fluorophenyl)sulfonyl-ethanone Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S2/c1-14-11-18-19(12-15(14)2)29-21(23-18)25-9-7-24(8-10-25)20(26)13-30(27,28)17-5-3-16(22)4-6-17/h3-6,11-12H,7-10,13H2,1-2H3