3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid Traditional Name: 3-(homoveratrylsulfamoyl)benzoic acid Formula: C17H19NO6S MolecularWeight: 365.40086

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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)