3-(azetidin-1-ylsulfonyl)-4,5-dimethyl-benzoate

Systemtic Name: 3-(azetidin-1-ylsulfonyl)-4,5-dimethyl-benzoate Openeye Name: 3-(azetidin-1-ylsulfonyl)-4,5-dimethyl-benzoate CAS Name: 3-(1-azetidinylsulfonyl)-4,5-dimethylbenzoate IUPAC Name: 3-(azetidin-1-ylsulfonyl)-4,5-dimethylbenzoate Traditional Name: 3-(azetidin-1-ylsulfonyl)-4,5-dimethyl-benzoate Formula: C12H14NO4S- MolecularWeight: 268.30886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N2CCC2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N2CCC2)C

InChI

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