6-cyano-7-methyl-6-pyridin-2-ylsulfonyl-octanoic acid

Systemtic Name: 6-cyano-7-methyl-6-pyridin-2-ylsulfonyl-octanoic acid Openeye Name: 6-cyano-7-methyl-6-(2-pyridylsulfonyl)octanoic acid CAS Name: 6-cyano-7-methyl-6-(2-pyridinylsulfonyl)octanoic acid IUPAC Name: 6-cyano-7-methyl-6-pyridin-2-ylsulfonyloctanoic acid Traditional Name: 6-cyano-7-methyl-6-(2-pyridylsulfonyl)caprylic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C1=CC=CC=N1

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C1=CC=CC=N1

InChI

InChI=1S/C15H20N2O4S/c1-12(2)15(11-16,9-5-3-8-14(18)19)22(20,21)13-7-4-6-10-17-13/h4,6-7,10,12H,3,5,8-9H2,1-2H3,(H,18,19)