[1-(4-chlorophenyl)-4-imidazol-1-yl-butan-2-yl] methanesulfonate

Systemtic Name: [1-(4-chlorophenyl)-4-imidazol-1-yl-butan-2-yl] methanesulfonate Openeye Name: [1-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(4-chlorophenyl)-4-(1-imidazolyl)butan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-4-imidazol-1-ylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(4-chlorobenzyl)-3-imidazol-1-yl-propyl] ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCN1C=CN=C1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)OC(CCN1C=CN=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN2O3S/c1-21(18,19)20-14(6-8-17-9-7-16-11-17)10-12-2-4-13(15)5-3-12/h2-5,7,9,11,14H,6,8,10H2,1H3