ethyl 1-(1H-imidazol-2-yl)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentane-1-sulfonate

Systemtic Name: ethyl 1-(1H-imidazol-2-yl)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentane-1-sulfonate Openeye Name: ethyl 5-(4-tert-butoxyphenyl)-1-(1H-imidazol-2-yl)pentane-1-sulfonate CAS Name: 1-(1H-imidazol-2-yl)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-pentanesulfonic acid IUPAC Name: ethyl 1-(1H-imidazol-2-yl)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentane-1-sulfonate Traditional Name: 5-(4-tert-butoxyphenyl)-1-(1H-imidazol-2-yl)pentane-1-sulfonic acid ethyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(CCCCC1=CC=C(C=C1)OC(C)(C)C)C2=NC=CN2

Isomeric SMILES

CCOS(=O)(=O)C(CCCCC1=CC=C(C=C1)OC(C)(C)C)C2=NC=CN2

InChI

InChI=1S/C20H30N2O4S/c1-5-25-27(23,24)18(19-21-14-15-22-19)9-7-6-8-16-10-12-17(13-11-16)26-20(2,3)4/h10-15,18H,5-9H2,1-4H3,(H,21,22)