5-(4-cyanophenyl)sulfonylpentanoic acid

Systemtic Name: 5-(4-cyanophenyl)sulfonylpentanoic acid Openeye Name: 5-(4-cyanophenyl)sulfonylpentanoic acid CAS Name: 5-(4-cyanophenyl)sulfonylpentanoic acid IUPAC Name: 5-(4-cyanophenyl)sulfonylpentanoic acid Traditional Name: 5-(4-cyanophenyl)sulfonylvaleric acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)S(=O)(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)S(=O)(=O)CCCCC(=O)O

InChI

InChI=1S/C12H13NO4S/c13-9-10-4-6-11(7-5-10)18(16,17)8-2-1-3-12(14)15/h4-7H,1-3,8H2,(H,14,15)