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

Systemtic Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] benzenesulfonate Openeye Name: [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C21H15N3O3S/c25-28(26,18-6-2-1-3-7-18)27-17-11-9-16(10-12-17)21-23-15-13-20(24-21)19-8-4-5-14-22-19/h1-15H