(2-oxidanylideneazepan-3-yl) 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-(methylsulfonylmethyl)benzoate Openeye Name: (2-oxoazepan-3-yl) 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (2-ketoazepan-3-yl) ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC2CCCCNC2=O

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC2CCCCNC2=O

InChI

InChI=1S/C15H19NO5S/c1-22(19,20)10-11-5-7-12(8-6-11)15(18)21-13-4-2-3-9-16-14(13)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)