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

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(NC3=CC=CC=C32)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(NC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C16H15N5O5S/c1-8-7-9(2)18-15(17-8)20-16(24)21-27(25,26)13-10-5-3-4-6-11(10)19-12(13)14(22)23/h3-7,19H,1-2H3,(H,22,23)(H2,17,18,20,21,24)