4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoic acid Openeye Name: 2-(benzylsulfonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[(phenylmethyl)sulfonylamino]butanoic acid IUPAC Name: 2-(benzylsulfonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(benzylsulfonylamino)-4-(methylthio)butyric acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H17NO4S2/c1-18-8-7-11(12(14)15)13-19(16,17)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,14,15)