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

Systemtic Name: 5-(azetidin-1-ylsulfonyl)-2-propoxy-benzoic acid Openeye Name: 5-(azetidin-1-ylsulfonyl)-2-propoxy-benzoic acid CAS Name: 5-(1-azetidinylsulfonyl)-2-propoxybenzoic acid IUPAC Name: 5-(azetidin-1-ylsulfonyl)-2-propoxybenzoic acid Traditional Name: 5-(azetidin-1-ylsulfonyl)-2-propoxy-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC2)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-2-8-19-12-5-4-10(9-11(12)13(15)16)20(17,18)14-6-3-7-14/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)