2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoic acid

Systemtic Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoic acid Openeye Name: 2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoic acid CAS Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentylpropanoic acid IUPAC Name: 2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentylpropanoic acid Traditional Name: 2-(3-cyano-4-mesyl-phenyl)-3-cyclopentyl-propionic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)O)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)O)C#N

InChI

InChI=1S/C16H19NO4S/c1-22(20,21)15-7-6-12(9-13(15)10-17)14(16(18)19)8-11-4-2-3-5-11/h6-7,9,11,14H,2-5,8H2,1H3,(H,18,19)