[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c1-12-10-17(20-11-19-12)21-14-4-6-15(7-5-14)24-25(22,23)16-8-2-13(18)3-9-16/h2-11H,1H3,(H,19,20,21)