2-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-1-(3-oxidanylpropylamino)cyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-1-(3-oxidanylpropylamino)cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-(3-hydroxypropylamino)cyclopentanecarboxylic acid CAS Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-(3-hydroxypropylamino)-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-(3-hydroxypropylamino)cyclopentane-1-carboxylic acid Traditional Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-(3-hydroxypropylamino)cyclopentanecarboxylic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(C(=O)O)NCCCO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(C(C1)(C(=O)O)NCCCO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO6S/c22-15-4-6-16(7-5-15)29-17-8-10-18(11-9-17)30(27,28)19-3-1-12-21(19,20(25)26)23-13-2-14-24/h4-11,19,23-24H,1-3,12-14H2,(H,25,26)