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

Systemtic Name: 6-cyano-7-methyl-6-thiophen-2-ylsulfonyl-octanoic acid Openeye Name: 6-cyano-7-methyl-6-(2-thienylsulfonyl)octanoic acid CAS Name: 6-cyano-7-methyl-6-thiophen-2-ylsulfonyloctanoic acid IUPAC Name: 6-cyano-7-methyl-6-thiophen-2-ylsulfonyloctanoic acid Traditional Name: 6-cyano-7-methyl-6-(2-thienylsulfonyl)caprylic acid Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C1=CC=CS1

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(C#N)S(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C14H19NO4S2/c1-11(2)14(10-15,8-4-3-6-12(16)17)21(18,19)13-7-5-9-20-13/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,17)