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

Systemtic Name: [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(4,6-dimethyl-2-pyrimidinyl)-4-ethyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] ester Formula: C20H23N5O4S MolecularWeight: 429.49272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C)C2=NC(=CC(=N2)C)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=C(N(N=C1C)C2=NC(=CC(=N2)C)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H23N5O4S/c1-6-18-14(4)24-25(20-21-12(2)11-13(3)22-20)19(18)29-30(27,28)17-9-7-16(8-10-17)23-15(5)26/h7-11H,6H2,1-5H3,(H,23,26)