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

Systemtic Name: [4-(4-bromophenyl)-1-imidazol-1-yl-butan-2-yl] methanesulfonate Openeye Name: [3-(4-bromophenyl)-1-(imidazol-1-ylmethyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-bromophenyl)-1-(1-imidazolyl)butan-2-yl] ester IUPAC Name: [4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-bromophenyl)-1-(imidazol-1-ylmethyl)propyl] ester Formula: C14H17BrN2O3S MolecularWeight: 373.26538

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC=C(C=C1)Br)CN2C=CN=C2

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC=C(C=C1)Br)CN2C=CN=C2

InChI

InChI=1S/C14H17BrN2O3S/c1-21(18,19)20-14(10-17-9-8-16-11-17)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3