2-[4-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-1-yl]phenyl]ethyl methanesulfonate

Systemtic Name: 2-[4-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-1-yl]phenyl]ethyl methanesulfonate Openeye Name: 2-[4-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-1-yl]phenyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-pyrazolyl]phenyl]ethyl ester IUPAC Name: 2-[4-[4-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-1-yl]phenyl]ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)CCOS(=O)(=O)C)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)CCOS(=O)(=O)C)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-15-22(18-8-11-20(27-3)21(14-18)28-4)16(2)24(23-15)19-9-6-17(7-10-19)12-13-29-30(5,25)26/h6-11,14H,12-13H2,1-5H3