3-[4-(cyanomethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(cyanomethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(cyanomethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(cyanomethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyanomethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(cyanomethylsulfonyl)phenyl]propionic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC#N

InChI

InChI=1S/C11H11NO4S/c12-7-8-17(15,16)10-4-1-9(2-5-10)3-6-11(13)14/h1-2,4-5H,3,6,8H2,(H,13,14)