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

Systemtic Name: phenacyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: phenacyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid phenacyl ester Formula: C24H21NO7S MolecularWeight: 467.49104

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C24H21NO7S/c26-21(17-6-2-1-3-7-17)16-32-24(27)18-8-4-9-19(14-18)25-33(28,29)20-10-11-22-23(15-20)31-13-5-12-30-22/h1-4,6-11,14-15,25H,5,12-13,16H2