[3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenyl-ethyl]phenyl] methanesulfonate

Systemtic Name: [3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenyl-ethyl]phenyl] methanesulfonate Openeye Name: [3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenyl-ethyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylethyl]phenyl] ester IUPAC Name: [3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylethyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-(2-imidazolin-2-ylamino)-2-phenyl-ethyl]phenyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CC(C2=CC=CC=C2)NC3=NCCN3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CC(C2=CC=CC=C2)NC3=NCCN3

InChI

InChI=1S/C18H21N3O3S/c1-25(22,23)24-16-9-5-6-14(12-16)13-17(15-7-3-2-4-8-15)21-18-19-10-11-20-18/h2-9,12,17H,10-11,13H2,1H3,(H2,19,20,21)