1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3S2)F)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3S2)F)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22FN3O3S2/c22-17-7-4-8-18-20(17)23-21(29-18)25-12-10-24(11-13-25)19(26)9-14-30(27,28)15-16-5-2-1-3-6-16/h1-8H,9-15H2