2-oxidanylidenepropyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: acetonyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid acetonyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H19NO7S/c1-13(21)12-27-19(22)14-3-5-15(6-4-14)20-28(23,24)16-7-8-17-18(11-16)26-10-2-9-25-17/h3-8,11,20H,2,9-10,12H2,1H3