(2-oxidanylideneoxolan-3-yl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3CCOC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3CCOC3=O

InChI

InChI=1S/C18H23NO7S/c1-24-15-7-6-13(27(22,23)19-9-4-2-3-5-10-19)12-14(15)17(20)26-16-8-11-25-18(16)21/h6-7,12,16H,2-5,8-11H2,1H3