[4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[4-(4-methoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C23H17BrN2O4S MolecularWeight: 497.36108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H17BrN2O4S/c1-29-19-8-2-16(3-9-19)22-14-15-25-23(26-22)17-4-10-20(11-5-17)30-31(27,28)21-12-6-18(24)7-13-21/h2-15H,1H3