3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Openeye Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propionate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)[O-])C)C

InChI

InChI=1S/C13H19NO4S/c1-8-7-9(2)11(4)13(10(8)3)19(17,18)14-6-5-12(15)16/h7,14H,5-6H2,1-4H3,(H,15,16)/p-1