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

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)O)C

InChI

InChI=1S/C17H17N5O5S/c1-9-8-10(2)19-16(18-9)20-17(25)21-28(26,27)14-11-6-4-5-7-12(11)22(3)13(14)15(23)24/h4-8H,1-3H3,(H,23,24)(H2,18,19,20,21,25)