methyl 5-bromanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)benzoate

Systemtic Name: methyl 5-bromanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)benzoate Openeye Name: methyl 5-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)benzoate CAS Name: 5-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)benzoate Traditional Name: 5-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)benzoic acid methyl ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16BrNO6S/c1-23-17(20)13-9-11(18)3-6-16(13)26(21,22)19-12-4-5-14-15(10-12)25-8-2-7-24-14/h3-6,9-10,19H,2,7-8H2,1H3