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

Systemtic Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone Openeye Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone CAS Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-fluorophenyl)sulfonylethanone IUPAC Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylethanone Traditional Name: 1-[4-(4-ethyl-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:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

InChI

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