2-azanyl-3-[(4-propylsulfonylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-propylsulfonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-propylsulfonylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-propylsulfonylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-propylsulfonylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-propylsulfonylbenzyl)thio]propionic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)CSCC(C(=O)O)N

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)CSCC(C(=O)O)N

InChI

InChI=1S/C13H19NO4S2/c1-2-7-20(17,18)11-5-3-10(4-6-11)8-19-9-12(14)13(15)16/h3-6,12H,2,7-9,14H2,1H3,(H,15,16)