3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate Openeye Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propionate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-8-9(2)11(4)14(12(5)10(8)3)20(18,19)15-7-6-13(16)17/h15H,6-7H2,1-5H3,(H,16,17)/p-1