[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O3S/c1-16-25-22(17-6-3-2-4-7-17)15-23(26-16)27-19-8-5-9-20(14-19)30-31(28,29)21-12-10-18(24)11-13-21/h2-15H,1H3,(H,25,26,27)