2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-4-(methylthio)butyrate Formula: C13H17N2O5S2- MolecularWeight: 345.41448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C13H18N2O5S2/c1-9(16)14-10-3-5-11(6-4-10)22(19,20)15-12(13(17)18)7-8-21-2/h3-6,12,15H,7-8H2,1-2H3,(H,14,16)(H,17,18)/p-1