4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)sulfamoyl]benzoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid Traditional Name: 4-[homoveratryl(2-thenyl)sulfamoyl]benzoic acid Formula: C22H23NO6S2 MolecularWeight: 461.55112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H23NO6S2/c1-28-20-10-5-16(14-21(20)29-2)11-12-23(15-18-4-3-13-30-18)31(26,27)19-8-6-17(7-9-19)22(24)25/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25)