3-(1H-imidazol-3-ium-5-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-(1H-imidazol-3-ium-5-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: 3-(1H-imidazol-3-ium-5-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-imidazol-3-ium-5-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: 3-(1H-imidazol-3-ium-5-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-imidazol-3-ium-5-yl)-2-(tosylamino)propionate Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-9-2-4-11(5-3-9)21(19,20)16-12(13(17)18)6-10-7-14-8-15-10/h2-5,7-8,12,16H,6H2,1H3,(H,14,15)(H,17,18)