2-[4-(4-cyanophenyl)sulfonylphenyl]hexanoic acid

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonylphenyl]hexanoic acid Openeye Name: 2-[4-(4-cyanophenyl)sulfonylphenyl]hexanoic acid CAS Name: 2-[4-(4-cyanophenyl)sulfonylphenyl]hexanoic acid IUPAC Name: 2-[4-(4-cyanophenyl)sulfonylphenyl]hexanoic acid Traditional Name: 2-[4-(4-cyanophenyl)sulfonylphenyl]hexanoic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-2-3-4-18(19(21)22)15-7-11-17(12-8-15)25(23,24)16-9-5-14(13-20)6-10-16/h5-12,18H,2-4H2,1H3,(H,21,22)