2-[2-[(1-heptanoylpiperidin-3-yl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(1-heptanoylpiperidin-3-yl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(1-heptanoyl-3-piperidyl)methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-(1-oxoheptyl)-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(1-heptanoylpiperidin-3-yl)methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(1-enanthyl-3-piperidyl)methylthio]benzimidazol-1-yl]acetic acid Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCCC(C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

CCCCCCC(=O)N1CCCC(C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C22H31N3O3S/c1-2-3-4-5-12-20(26)24-13-8-9-17(14-24)16-29-22-23-18-10-6-7-11-19(18)25(22)15-21(27)28/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H,27,28)