(2-oxidanylideneoxolan-3-yl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3CCOC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3CCOC3=O

InChI

InChI=1S/C17H21NO6S/c19-16(24-15-9-12-23-17(15)20)13-5-7-14(8-6-13)25(21,22)18-10-3-1-2-4-11-18/h5-8,15H,1-4,9-12H2