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

Systemtic Name: 3-[4-(3-cyanopropylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(3-cyanopropylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(3-cyanopropylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(3-cyanopropylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(3-cyanopropylsulfonyl)phenyl]propionic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c14-9-1-2-10-19(17,18)12-6-3-11(4-7-12)5-8-13(15)16/h3-4,6-7H,1-2,5,8,10H2,(H,15,16)