(2S)-4-azanyl-2-[(4-cyanophenyl)methylsulfonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[(4-cyanophenyl)methylsulfonylamino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[(4-cyanophenyl)methylsulfonylamino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[(4-cyanophenyl)methylsulfonylamino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[(4-cyanophenyl)methylsulfonylamino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(4-cyanobenzyl)sulfonylamino]-4-keto-butyrate Formula: C12H12N3O5S- MolecularWeight: 310.30578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)NC(CC(=O)N)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)N[C@@H](CC(=O)N)C(=O)[O-])C#N

InChI

InChI=1S/C12H13N3O5S/c13-6-8-1-3-9(4-2-8)7-21(19,20)15-10(12(17)18)5-11(14)16/h1-4,10,15H,5,7H2,(H2,14,16)(H,17,18)/p-1/t10-/m0/s1