2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]indazol-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]indazol-3-yl]ethyl methanesulfonate Openeye Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-3-indazolyl]ethyl ester IUPAC Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]ethyl ester Formula: C35H34N4O5S MolecularWeight: 622.73326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN2CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCOS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN2CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCOS(=O)(=O)C)OC

InChI

InChI=1S/C35H34N4O5S/c1-42-33-21-30-31(19-20-44-45(3,40)41)37-39(32(30)22-34(33)43-2)24-29-23-38(25-36-29)35(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,21-23,25H,19-20,24H2,1-3H3