3-[3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: 3-[3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-(indan-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-(indan-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(CCC3)C=C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(CCC3)C=C2)OC

InChI

InChI=1S/C20H21NO6S/c1-26-17-10-13(6-9-19(22)23)11-18(20(17)27-2)28(24,25)21-16-8-7-14-4-3-5-15(14)12-16/h6-12,21H,3-5H2,1-2H3,(H,22,23)