1-imidazol-1-ylbutan-2-yl 4-chloranylbenzenesulfonate

Systemtic Name: 1-imidazol-1-ylbutan-2-yl 4-chloranylbenzenesulfonate Openeye Name: 1-(imidazol-1-ylmethyl)propyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 1-(1-imidazolyl)butan-2-yl ester IUPAC Name: 1-imidazol-1-ylbutan-2-yl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 1-(imidazol-1-ylmethyl)propyl ester Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=CN=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CN1C=CN=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN2O3S/c1-2-12(9-16-8-7-15-10-16)19-20(17,18)13-5-3-11(14)4-6-13/h3-8,10,12H,2,9H2,1H3