2-[[4-[(4-cyanophenyl)methoxy]phenyl]sulfonylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[[4-[(4-cyanophenyl)methoxy]phenyl]sulfonylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[[4-[(4-cyanophenyl)methoxy]phenyl]sulfonylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[4-[(4-cyanophenyl)methoxy]phenyl]sulfonylmethyl]-5-phenylpentanoic acid IUPAC Name: 2-[[4-[(4-cyanophenyl)methoxy]phenyl]sulfonylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[4-(4-cyanobenzyl)oxyphenyl]sulfonylmethyl]-5-phenyl-valeric acid Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C26H25NO5S/c27-17-21-9-11-22(12-10-21)18-32-24-13-15-25(16-14-24)33(30,31)19-23(26(28)29)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-16,23H,4,7-8,18-19H2,(H,28,29)