3-(azetidin-1-ylsulfonyl)-4-methyl-benzoic acid

Systemtic Name: 3-(azetidin-1-ylsulfonyl)-4-methyl-benzoic acid Openeye Name: 3-(azetidin-1-ylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-(1-azetidinylsulfonyl)-4-methylbenzoic acid IUPAC Name: 3-(azetidin-1-ylsulfonyl)-4-methylbenzoic acid Traditional Name: 3-(azetidin-1-ylsulfonyl)-4-methyl-benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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