[4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-16-6-10-18(11-7-16)29(26,27)28-17-8-4-15(5-9-17)21-24-14-12-20(25-21)19-3-1-2-13-23-19/h1-14H