4-(1-cyano-2-methyl-1-phenyl-propyl)sulfonylbutanoic acid

Systemtic Name: 4-(1-cyano-2-methyl-1-phenyl-propyl)sulfonylbutanoic acid Openeye Name: 4-(1-cyano-2-methyl-1-phenyl-propyl)sulfonylbutanoic acid CAS Name: 4-(1-cyano-2-methyl-1-phenylpropyl)sulfonylbutanoic acid IUPAC Name: 4-(1-cyano-2-methyl-1-phenylpropyl)sulfonylbutanoic acid Traditional Name: 4-(1-cyano-2-methyl-1-phenyl-propyl)sulfonylbutyric acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC=CC=C1)S(=O)(=O)CCCC(=O)O

Isomeric SMILES

CC(C)C(C#N)(C1=CC=CC=C1)S(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C15H19NO4S/c1-12(2)15(11-16,13-7-4-3-5-8-13)21(19,20)10-6-9-14(17)18/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,17,18)