[6-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethoxy]-2-oxanyl]methyl ester IUPAC Name: [6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]oxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethoxy]tetrahydropyran-2-yl]methyl ester Formula: C24H26Cl2N2O5S MolecularWeight: 525.44464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(O2)OC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(O2)OC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H26Cl2N2O5S/c1-17-5-8-20(9-6-17)34(29,30)31-15-19-3-2-4-24(32-19)33-23(14-28-12-11-27-16-28)21-10-7-18(25)13-22(21)26/h5-13,16,19,23-24H,2-4,14-15H2,1H3