3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid Formula: C17H17N5O7S MolecularWeight: 435.41118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C17H17N5O7S/c1-22-10-7-5-4-6-9(10)14(13(22)15(23)24)30(26,27)21-17(25)20-16-18-11(28-2)8-12(19-16)29-3/h4-8H,1-3H3,(H,23,24)(H2,18,19,20,21,25)