2-[2-[[1-(4-bromophenyl)carbonylpiperidin-3-yl]methylsulfanyl]-5-fluoranyl-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[1-(4-bromophenyl)carbonylpiperidin-3-yl]methylsulfanyl]-5-fluoranyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(4-bromobenzoyl)-3-piperidyl]methylsulfanyl]-5-fluoro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-[(4-bromophenyl)-oxomethyl]-3-piperidinyl]methylthio]-5-fluoro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(4-bromobenzoyl)piperidin-3-yl]methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[1-(4-bromobenzoyl)-3-piperidyl]methylthio]-5-fluoro-benzimidazol-1-yl]acetic acid Formula: C22H21BrFN3O3S MolecularWeight: 506.387843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)CSC3=NC4=C(N3CC(=O)O)C=CC(=C4)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)CSC3=NC4=C(N3CC(=O)O)C=CC(=C4)F

InChI

InChI=1S/C22H21BrFN3O3S/c23-16-5-3-15(4-6-16)21(30)26-9-1-2-14(11-26)13-31-22-25-18-10-17(24)7-8-19(18)27(22)12-20(28)29/h3-8,10,14H,1-2,9,11-13H2,(H,28,29)