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

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C17H20ClNO6S MolecularWeight: 401.8618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO6S/c18-13-6-5-12(16(20)25-14-7-10-24-17(14)21)11-15(13)26(22,23)19-8-3-1-2-4-9-19/h5-6,11,14H,1-4,7-10H2