sodium 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]ethanesulfonate

Systemtic Name: sodium 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]ethanesulfonate Openeye Name: sodium 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonate CAS Name: sodium 1-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]ethanesulfonate IUPAC Name: sodium 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonate Traditional Name: sodium 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonate Formula: C13H15N4NaO5S2 MolecularWeight: 394.40177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H16N4O5S2.Na/c1-9-7-8-14-13(15-9)17-23(18,19)12-5-3-11(4-6-12)16-10(2)24(20,21)22;/h3-8,10,16H,1-2H3,(H,14,15,17)(H,20,21,22);/q;+1/p-1