3-[(4-methylphenyl)sulfonyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-[(3-oxido-3-oxo-propyl)-(p-tolylsulfonyl)amino]propanoate CAS Name: 3-[(4-methylphenyl)sulfonyl-(3-oxido-3-oxopropyl)amino]propanoate IUPAC Name: 3-[(4-methylphenyl)sulfonyl-(3-oxido-3-oxopropyl)amino]propanoate Traditional Name: 3-[(3-keto-3-oxido-propyl)-tosyl-amino]propionate Formula: C13H15NO6S-2 MolecularWeight: 313.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)/p-2