3-[4-(2-diethylaminoethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-diethylaminoethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-diethylaminoethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(2-diethylaminoethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(2-diethylaminoethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-diethylaminoethylsulfonyl)phenyl]propionic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C15H23NO4S/c1-3-16(4-2)11-12-21(19,20)14-8-5-13(6-9-14)7-10-15(17)18/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,18)