5-(azetidin-1-ylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(azetidin-1-ylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(azetidin-1-ylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-(1-azetidinylsulfonyl)-2,4-dimethylbenzoic acid IUPAC Name: 5-(azetidin-1-ylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(azetidin-1-ylsulfonyl)-2,4-dimethyl-benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCC2)C

InChI

InChI=1S/C12H15NO4S/c1-8-6-9(2)11(7-10(8)12(14)15)18(16,17)13-4-3-5-13/h6-7H,3-5H2,1-2H3,(H,14,15)