ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]-3-bromanyl-benzoate

Systemtic Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]-3-bromanyl-benzoate Openeye Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]-3-bromo-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]-3-bromobenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]-3-bromo-benzoic acid ethyl ester Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO6S/c1-3-24-18(21)13-5-7-17(14(19)8-13)27(22,23)20-11(2)12-4-6-15-16(9-12)26-10-25-15/h4-9,11,20H,3,10H2,1-2H3