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

Systemtic Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Formula: C16H15N5O7S MolecularWeight: 421.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(NC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(NC3=CC=CC=C32)C(=O)O)OC

InChI

InChI=1S/C16H15N5O7S/c1-27-10-7-11(28-2)19-15(18-10)20-16(24)21-29(25,26)13-8-5-3-4-6-9(8)17-12(13)14(22)23/h3-7,17H,1-2H3,(H,22,23)(H2,18,19,20,21,24)