[2-[3-(2,4-dichlorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[3-(2,4-dichlorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[3-(2,4-dichlorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3-(2,4-dichlorophenyl)propyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-[3-(2,4-dichlorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[3-(2,4-dichlorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-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)OCC2COC(O2)(CCCC3=C(C=C(C=C3)Cl)Cl)CN4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CCCC3=C(C=C(C=C3)Cl)Cl)CN4C=CN=C4

InChI

InChI=1S/C24H26Cl2N2O5S/c1-18-4-8-22(9-5-18)34(29,30)32-15-21-14-31-24(33-21,16-28-12-11-27-17-28)10-2-3-19-6-7-20(25)13-23(19)26/h4-9,11-13,17,21H,2-3,10,14-16H2,1H3