(2-methoxy-2-oxidanylidene-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)OC

InChI

InChI=1S/C17H23NO7S/c1-23-15-8-7-13(11-14(15)17(20)25-12-16(19)24-2)26(21,22)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3