[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl] ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H19N3O5S2/c1-13-4-8-18(9-5-13)29(25,26)27-16-6-10-17(11-7-16)28(23,24)22-19-20-14(2)12-15(3)21-19/h4-12H,1-3H3,(H,20,21,22)