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

Systemtic Name: 5-(azetidin-1-ylsulfonyl)-2-methyl-benzoic acid Openeye Name: 5-(azetidin-1-ylsulfonyl)-2-methyl-benzoic acid CAS Name: 5-(1-azetidinylsulfonyl)-2-methylbenzoic acid IUPAC Name: 5-(azetidin-1-ylsulfonyl)-2-methylbenzoic acid Traditional Name: 5-(azetidin-1-ylsulfonyl)-2-methyl-benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC2)C(=O)O

InChI

InChI=1S/C11H13NO4S/c1-8-3-4-9(7-10(8)11(13)14)17(15,16)12-5-2-6-12/h3-4,7H,2,5-6H2,1H3,(H,13,14)