2-[(2-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-cyanophenyl)methylsulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-cyanophenyl)methylsulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-cyanobenzyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1C#N

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1C#N

InChI

InChI=1S/C13H16N2O4S2/c1-20-7-6-12(13(16)17)15-21(18,19)9-11-5-3-2-4-10(11)8-14/h2-5,12,15H,6-7,9H2,1H3,(H,16,17)