[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]phenyl] ester IUPAC Name: [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl] ester Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O3S/c1-13-19(14(2)22(3)21-13)12-15-4-8-17(9-5-15)25-26(23,24)18-10-6-16(20)7-11-18/h4-11H,12H2,1-3H3