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

Systemtic Name: [4-(4-cyanophenyl)-1-imidazol-1-yl-butan-2-yl] methanesulfonate Openeye Name: [3-(4-cyanophenyl)-1-(imidazol-1-ylmethyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-cyanophenyl)-1-(1-imidazolyl)butan-2-yl] ester IUPAC Name: [4-(4-cyanophenyl)-1-imidazol-1-ylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-cyanophenyl)-1-(imidazol-1-ylmethyl)propyl] ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-22(19,20)21-15(11-18-9-8-17-12-18)7-6-13-2-4-14(10-16)5-3-13/h2-5,8-9,12,15H,6-7,11H2,1H3