3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamoyl]pyrazinoic acid Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C16H13N5O6S/c1-9-8-12(20-27-9)21-28(25,26)11-4-2-10(3-5-11)19-15(22)13-14(16(23)24)18-7-6-17-13/h2-8H,1H3,(H,19,22)(H,20,21)(H,23,24)