3-[[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=CNC4=CC=CC=C43)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C26H26N2O6S/c1-3-34-24-12-11-17(14-25(24)33-2)21(22-15-27-23-10-5-4-9-20(22)23)16-28-35(31,32)19-8-6-7-18(13-19)26(29)30/h4-15,21,27-28H,3,16H2,1-2H3,(H,29,30)