[2-[2-(3,5-dipropoxyphenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[2-(3,5-dipropoxyphenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[2-(3,5-dipropoxyphenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-(3,5-dipropoxyphenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-[2-(3,5-dipropoxyphenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(3,5-dipropoxyphenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C29H38N2O7S MolecularWeight: 558.68622

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)CCC2(OCC(O2)COS(=O)(=O)C3=CC=C(C=C3)C)CN4C=CN=C4)OCCC

Isomeric SMILES

CCCOC1=CC(=CC(=C1)CCC2(OCC(O2)COS(=O)(=O)C3=CC=C(C=C3)C)CN4C=CN=C4)OCCC

InChI

InChI=1S/C29H38N2O7S/c1-4-14-34-25-16-24(17-26(18-25)35-15-5-2)10-11-29(21-31-13-12-30-22-31)36-19-27(38-29)20-37-39(32,33)28-8-6-23(3)7-9-28/h6-9,12-13,16-18,22,27H,4-5,10-11,14-15,19-21H2,1-3H3