2-[(6-chloranyl-4-methyl-3-oxidanylidene-pyrazin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(6-chloranyl-4-methyl-3-oxidanylidene-pyrazin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(6-chloro-4-methyl-3-oxo-pyrazin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(6-chloro-4-methyl-3-oxo-2-pyrazinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(6-chloro-3-keto-4-methyl-pyrazin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C13H11ClN4O6S MolecularWeight: 386.76764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C(C1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CN1C=C(N=C(C1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C13H11ClN4O6S/c1-18-6-9(14)15-10(11(18)19)16-13(22)17-25(23,24)8-5-3-2-4-7(8)12(20)21/h2-6H,1H3,(H,20,21)(H2,15,16,17,22)