3-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid CAS Name: 3-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]-1H-indole-2-carboxylic acid Formula: C16H15N5O6S MolecularWeight: 405.3852

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O6S/c1-8-7-11(27-2)19-15(17-8)20-16(24)21-28(25,26)13-9-5-3-4-6-10(9)18-12(13)14(22)23/h3-7,18H,1-2H3,(H,22,23)(H2,17,19,20,21,24)