2-[(3,5-dimethylphenyl)-ethylsulfonyl-amino]ethanoate

Systemtic Name: 2-[(3,5-dimethylphenyl)-ethylsulfonyl-amino]ethanoate Openeye Name: 2-(N-ethylsulfonyl-3,5-dimethyl-anilino)acetate CAS Name: 2-(N-ethylsulfonyl-3,5-dimethylanilino)acetate IUPAC Name: 2-(N-ethylsulfonyl-3,5-dimethylanilino)acetate Traditional Name: 2-(N-esyl-3,5-dimethyl-anilino)acetate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)[O-])C1=CC(=CC(=C1)C)C

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)[O-])C1=CC(=CC(=C1)C)C

InChI

InChI=1S/C12H17NO4S/c1-4-18(16,17)13(8-12(14)15)11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,14,15)/p-1