(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-cyanobenzyl)sulfonylamino]-3-methyl-butyrate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-9(2)12(13(16)17)15-20(18,19)8-11-5-3-10(7-14)4-6-11/h3-6,9,12,15H,8H2,1-2H3,(H,16,17)/p-1/t12-/m0/s1