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

Systemtic Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(4-cyanobenzyl)sulfonylamino]-3-hydroxy-butyrate Formula: C12H13N2O5S- MolecularWeight: 297.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-8(15)11(12(16)17)14-20(18,19)7-10-4-2-9(6-13)3-5-10/h2-5,8,11,14-15H,7H2,1H3,(H,16,17)/p-1/t8-,11-/m0/s1