3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate Traditional Name: 3-(homoveratrylsulfamoyl)benzoate Formula: C17H18NO6S- MolecularWeight: 364.39292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])OC

InChI

InChI=1S/C17H19NO6S/c1-23-15-7-6-12(10-16(15)24-2)8-9-18-25(21,22)14-5-3-4-13(11-14)17(19)20/h3-7,10-11,18H,8-9H2,1-2H3,(H,19,20)/p-1