3-azaniumyl-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-azaniumyl-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: 3-azaniumyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-ammonio-2-[(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: 3-azaniumyl-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-ammonio-2-(tosylamino)propionate Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C[NH3+])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C[NH3+])C(=O)[O-]

InChI

InChI=1S/C10H14N2O4S/c1-7-2-4-8(5-3-7)17(15,16)12-9(6-11)10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14)