2-[3-[1-(1-benzofuran-2-ylsulfonyl)piperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(1-benzofuran-2-ylsulfonyl)piperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-(benzofuran-2-ylsulfonyl)-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-(2-benzofuranylsulfonyl)-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-(1-benzofuran-2-ylsulfonyl)piperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-(benzofuran-2-ylsulfonyl)-3-piperidyl]phenyl]acetic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)CC(=O)O

InChI

InChI=1S/C21H21NO5S/c23-20(24)12-15-5-3-7-16(11-15)18-8-4-10-22(14-18)28(25,26)21-13-17-6-1-2-9-19(17)27-21/h1-3,5-7,9,11,13,18H,4,8,10,12,14H2,(H,23,24)