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

Systemtic Name: [1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl] methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl] ester IUPAC Name: [1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl] ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-13-3-5-14(6-4-13)7-8-15(20-21(2,18)19)11-17-10-9-16-12-17/h3-6,9-10,12,15H,7-8,11H2,1-2H3