5-(azetidin-1-ylsulfonyl)-2-ethoxy-benzoic acid

Systemtic Name: 5-(azetidin-1-ylsulfonyl)-2-ethoxy-benzoic acid Openeye Name: 5-(azetidin-1-ylsulfonyl)-2-ethoxy-benzoic acid CAS Name: 5-(1-azetidinylsulfonyl)-2-ethoxybenzoic acid IUPAC Name: 5-(azetidin-1-ylsulfonyl)-2-ethoxybenzoic acid Traditional Name: 5-(azetidin-1-ylsulfonyl)-2-ethoxy-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC2)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-2-18-11-5-4-9(8-10(11)12(14)15)19(16,17)13-6-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)