[3-[(6-methylpyrimidin-4-yl)amino]phenyl] benzenesulfonate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-13-10-17(19-12-18-13)20-14-6-5-7-15(11-14)23-24(21,22)16-8-3-2-4-9-16/h2-12H,1H3,(H,18,19,20)