[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C18H19N5O4S/c1-11-9-12(2)20-18(19-11)23-17(10-13(3)22-23)27-28(25,26)16-7-5-15(6-8-16)21-14(4)24/h5-10H,1-4H3,(H,21,24)