[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O3S/c23-17-9-11-20(12-10-17)30(27,28)29-19-8-4-7-18(13-19)26-22-14-21(24-15-25-22)16-5-2-1-3-6-16/h1-15H,(H,24,25,26)