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

Systemtic Name: [3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenyl-ethyl]phenyl] methanesulfonate; methanoic acid Openeye Name: [3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenyl-ethyl]phenyl] methanesulfonate; formic acid CAS Name: formic acid; 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; formic acid Traditional Name: formic acid; methanesulfonic acid [3-[2-(2-imidazolin-2-ylamino)-2-phenyl-ethyl]phenyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S.CH2O2/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;2-1-3/h2-9,12,17H,10-11,13H2,1H3,(H2,19,20,21);1H,(H,2,3)