(5-ethanoyl-2-methoxy-phenyl)methyl 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-bromo-5-(cyclopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-bromo-5-(cyclopropylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

InChI

InChI=1S/C20H20BrNO6S/c1-12(23)13-3-8-19(27-2)14(9-13)11-28-20(24)17-10-16(6-7-18(17)21)29(25,26)22-15-4-5-15/h3,6-10,15,22H,4-5,11H2,1-2H3