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

Systemtic Name: 2-[2-[[1-(4-bromophenyl)carbonylpiperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(4-bromobenzoyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-[(4-bromophenyl)-oxomethyl]-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(4-bromobenzoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[1-(4-bromobenzoyl)-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)CSC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)CSC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C22H22BrN3O3S/c23-17-9-7-16(8-10-17)21(29)25-11-3-4-15(12-25)14-30-22-24-18-5-1-2-6-19(18)26(22)13-20(27)28/h1-2,5-10,15H,3-4,11-14H2,(H,27,28)