2-[[2-(6-aminocarbonyl-1-methyl-indol-3-yl)-2-(1,3-benzodioxol-5-yl)ethanoyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[2-(6-aminocarbonyl-1-methyl-indol-3-yl)-2-(1,3-benzodioxol-5-yl)ethanoyl]sulfamoyl]benzoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methyl-indol-3-yl)acetyl]sulfamoyl]benzoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methyl-3-indolyl)-1-oxoethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methylindol-3-yl)acetyl]sulfamoyl]benzoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methyl-indol-3-yl)acetyl]sulfamoyl]benzoic acid Formula: C26H21N3O8S MolecularWeight: 535.52524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)N)C(C3=CC4=C(C=C3)OCO4)C(=O)NS(=O)(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)N)C(C3=CC4=C(C=C3)OCO4)C(=O)NS(=O)(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C26H21N3O8S/c1-29-12-18(16-8-6-15(24(27)30)10-19(16)29)23(14-7-9-20-21(11-14)37-13-36-20)25(31)28-38(34,35)22-5-3-2-4-17(22)26(32)33/h2-12,23H,13H2,1H3,(H2,27,30)(H,28,31)(H,32,33)