N3-[3-(2-methylpyrimidin-4-yl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-(2-methylpyrimidin-4-yl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(2-methylpyrimidin-4-yl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(2-methyl-4-pyrimidinyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(2-methylpyrimidin-4-yl)phenyl]benzene-1,3-disulfonamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C17H16N4O4S2/c1-12-19-9-8-17(20-12)13-4-2-5-14(10-13)21-27(24,25)16-7-3-6-15(11-16)26(18,22)23/h2-11,21H,1H3,(H2,18,22,23)