2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-hydroxyphenyl)sulfonyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-hydroxyphenyl)sulfonyl-amino]ethanesulfonic acid Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-hydroxyphenyl)sulfonyl-amino]ethanesulfonic acid CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]-(2-hydroxyphenyl)sulfonylamino]ethanesulfonic acid IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-hydroxyphenyl)sulfonylamino]ethanesulfonic acid Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-hydroxyphenyl)sulfonyl-amino]ethanesulfonic acid Formula: C15H18N4O7S2 MolecularWeight: 430.45602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)N(CCS(=O)(=O)O)S(=O)(=O)C2=CC=CC=C2O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)N(CCS(=O)(=O)O)S(=O)(=O)C2=CC=CC=C2O)C

InChI

InChI=1S/C15H18N4O7S2/c1-10-9-11(2)17-14(16-10)18-15(21)19(7-8-27(22,23)24)28(25,26)13-6-4-3-5-12(13)20/h3-6,9,20H,7-8H2,1-2H3,(H,22,23,24)(H,16,17,18,21)