[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] benzenesulfonate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S/c26-29(27,20-9-5-2-6-10-20)28-19-13-11-18(12-14-19)25-22-15-21(23-16-24-22)17-7-3-1-4-8-17/h1-16H,(H,23,24,25)