2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanesulfonic acid

Systemtic Name: 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanesulfonic acid Openeye Name: 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanesulfonic acid CAS Name: 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethyl-5-pyrimidinyl]ethanesulfonic acid IUPAC Name: 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethylpyrimidin-5-yl]ethanesulfonic acid Traditional Name: 2-[4,6-dimethyl-2-(sulfanilylamino)pyrimidin-5-yl]ethanesulfonic acid Formula: C14H18N4O5S2 MolecularWeight: 386.44652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O5S2/c1-9-13(7-8-24(19,20)21)10(2)17-14(16-9)18-25(22,23)12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,17,18)(H,19,20,21)