3-[[2-(4-fluoranylphenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxylic acid

Systemtic Name: 3-[[2-(4-fluoranylphenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxylic acid Openeye Name: 3-[[2-(4-fluorophenoxy)phenyl]sulfonyl-(3-pyridylmethyl)amino]cyclopentanecarboxylic acid CAS Name: 3-[[2-(4-fluorophenoxy)phenyl]sulfonyl-(3-pyridinylmethyl)amino]-1-cyclopentanecarboxylic acid IUPAC Name: 3-[[2-(4-fluorophenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 3-[[2-(4-fluorophenoxy)phenyl]sulfonyl-(3-pyridylmethyl)amino]cyclopentanecarboxylic acid Formula: C24H23FN2O5S MolecularWeight: 470.513223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(=O)O)N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3OC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(CC1C(=O)O)N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3OC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O5S/c25-19-8-11-21(12-9-19)32-22-5-1-2-6-23(22)33(30,31)27(16-17-4-3-13-26-15-17)20-10-7-18(14-20)24(28)29/h1-6,8-9,11-13,15,18,20H,7,10,14,16H2,(H,28,29)