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

Systemtic Name: 2-azanyl-3-[(4-butylsulfonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-butylsulfonylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-butylsulfonylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-butylsulfonylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-butylsulfonylbenzyl)thio]propionic acid Formula: C14H21NO4S2 MolecularWeight: 331.45084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S2/c1-2-3-8-21(18,19)12-6-4-11(5-7-12)9-20-10-13(15)14(16)17/h4-7,13H,2-3,8-10,15H2,1H3,(H,16,17)