sodium 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]ethanesulfonic acid

Systemtic Name: sodium 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]ethanesulfonic acid Openeye Name: sodium 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonic acid CAS Name: sodium 1-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]ethanesulfonic acid IUPAC Name: sodium 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonic acid Traditional Name: sodium 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonic acid Formula: C14H18N4NaO5S2+ MolecularWeight: 409.43629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)O)C.[Na+]

InChI

InChI=1S/C14H18N4O5S2.Na/c1-9-8-10(2)16-14(15-9)18-24(19,20)13-6-4-12(5-7-13)17-11(3)25(21,22)23;/h4-8,11,17H,1-3H3,(H,15,16,18)(H,21,22,23);/q;+1