3-[(4-chloranyl-3,5-dimethyl-phenyl)sulfonylamino]propanoate

Systemtic Name: 3-[(4-chloranyl-3,5-dimethyl-phenyl)sulfonylamino]propanoate Openeye Name: 3-[(4-chloro-3,5-dimethyl-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chloro-3,5-dimethylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[(4-chloro-3,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chloro-3,5-dimethyl-phenyl)sulfonylamino]propionate Formula: C11H13ClNO4S- MolecularWeight: 290.74322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)S(=O)(=O)NCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)S(=O)(=O)NCCC(=O)[O-]

InChI

InChI=1S/C11H14ClNO4S/c1-7-5-9(6-8(2)11(7)12)18(16,17)13-4-3-10(14)15/h5-6,13H,3-4H2,1-2H3,(H,14,15)/p-1