3-[(4-ethylphenyl)-ethylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(4-ethylphenyl)-ethylsulfonyl-amino]propanoic acid Openeye Name: 3-(4-ethyl-N-ethylsulfonyl-anilino)propanoic acid CAS Name: 3-(4-ethyl-N-ethylsulfonylanilino)propanoic acid IUPAC Name: 3-(4-ethyl-N-ethylsulfonylanilino)propanoic acid Traditional Name: 3-(N-esyl-4-ethyl-anilino)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)CC

InChI

InChI=1S/C13H19NO4S/c1-3-11-5-7-12(8-6-11)14(10-9-13(15)16)19(17,18)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)