4-ethylsulfonyl-N-[2-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-ethylsulfonyl-N-[2-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-ethylsulfonyl-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-ethylsulfonyl-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-ethylsulfonyl-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-esyl-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C22H25FN4O3S2 MolecularWeight: 476.587303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H25FN4O3S2/c1-2-32(29,30)17-8-6-16(7-9-17)21(28)24-10-11-26-12-14-27(15-13-26)22-25-20-18(23)4-3-5-19(20)31-22/h3-9H,2,10-15H2,1H3,(H,24,28)