2-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]propanoic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]propanoic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]propanoic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]propanoic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfonyl]propanoic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]sulfonylpropionic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)C2=CC=CC=C2C#N

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H15NO4S/c1-12(17(19)20)23(21,22)11-13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-18/h2-9,12H,11H2,1H3,(H,19,20)