2-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(3-chloro-4-fluorophenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C18H16ClFN2O2S2 MolecularWeight: 410.913243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16ClFN2O2S2/c19-14-10-13(7-8-15(14)20)26(23,24)22-9-3-4-12(11-22)18-21-16-5-1-2-6-17(16)25-18/h1-2,5-8,10,12H,3-4,9,11H2