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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

InChI

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