4-azanyl-2-[(2-cyanophenyl)methylsulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-cyanophenyl)methylsulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-cyanophenyl)methylsulfonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[(2-cyanophenyl)methylsulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-cyanophenyl)methylsulfonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(2-cyanobenzyl)sulfonylamino]-4-keto-butyric acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NC(CC(=O)N)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NC(CC(=O)N)C(=O)O)C#N

InChI

InChI=1S/C12H13N3O5S/c13-6-8-3-1-2-4-9(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)