4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(2-naphthylsulfonylamino)butanoic acid CAS Name: 4-(methylthio)-2-(2-naphthalenylsulfonylamino)butanoic acid IUPAC Name: 4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2-naphthylsulfonylamino)butyric acid Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C15H17NO4S2/c1-21-9-8-14(15(17)18)16-22(19,20)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8-9H2,1H3,(H,17,18)