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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)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-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO6S/c1-2-8-22-29(24,25)16-6-4-15(5-7-16)20(23)28-13-14-11-17(21)19-18(12-14)26-9-3-10-27-19/h2,4-7,11-12,22H,1,3,8-10,13H2