(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate CAS Name: 4-(2-methoxyethylsulfamoyl)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(2-methoxyethylsulfamoyl)benzoate Traditional Name: 4-(2-methoxyethylsulfamoyl)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H22ClNO7S/c1-26-10-7-22-30(24,25)16-5-3-15(4-6-16)20(23)29-13-14-11-17(21)19-18(12-14)27-8-2-9-28-19/h3-6,11-12,22H,2,7-10,13H2,1H3