(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-cyanobenzyl)sulfonylamino]-4-(methylthio)butyrate Formula: C13H15N2O4S2- MolecularWeight: 327.3992

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)C#N

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H16N2O4S2/c1-20-7-6-12(13(16)17)15-21(18,19)9-11-4-2-10(8-14)3-5-11/h2-5,12,15H,6-7,9H2,1H3,(H,16,17)/p-1/t12-/m0/s1