ethyl 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-bromanyl-benzoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-bromo-benzoate CAS Name: 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylsulfamoyl)-3-bromobenzoate Traditional Name: 3-bromo-4-(piperonylsulfamoyl)benzoic acid ethyl ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Br

InChI

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