3-[(3,5-dimethylphenyl)-ethylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-ethylsulfonyl-amino]propanoic acid Openeye Name: 3-(N-ethylsulfonyl-3,5-dimethyl-anilino)propanoic acid CAS Name: 3-(N-ethylsulfonyl-3,5-dimethylanilino)propanoic acid IUPAC Name: 3-(N-ethylsulfonyl-3,5-dimethylanilino)propanoic acid Traditional Name: 3-(N-esyl-3,5-dimethyl-anilino)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCC(=O)O)C1=CC(=CC(=C1)C)C

Isomeric SMILES

CCS(=O)(=O)N(CCC(=O)O)C1=CC(=CC(=C1)C)C

InChI

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