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

Systemtic Name: [4-(2,4-dimethylphenyl)-1-imidazol-1-yl-butan-2-yl] methanesulfonate Openeye Name: [3-(2,4-dimethylphenyl)-1-(imidazol-1-ylmethyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [4-(2,4-dimethylphenyl)-1-(1-imidazolyl)butan-2-yl] ester IUPAC Name: [4-(2,4-dimethylphenyl)-1-imidazol-1-ylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,4-dimethylphenyl)-1-(imidazol-1-ylmethyl)propyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(CN2C=CN=C2)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(CN2C=CN=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C16H22N2O3S/c1-13-4-5-15(14(2)10-13)6-7-16(21-22(3,19)20)11-18-9-8-17-12-18/h4-5,8-10,12,16H,6-7,11H2,1-3H3