[1-(2-methyl-2,3-dihydrobenzimidazol-1-yl)-4-phenyl-butan-2-yl] hydrogen sulfate

Systemtic Name: [1-(2-methyl-2,3-dihydrobenzimidazol-1-yl)-4-phenyl-butan-2-yl] hydrogen sulfate Openeye Name: [1-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]-3-phenyl-propyl] hydrogen sulfate CAS Name: sulfuric acid [1-(2-methyl-2,3-dihydrobenzimidazol-1-yl)-4-phenylbutan-2-yl] ester IUPAC Name: [1-(2-methyl-2,3-dihydrobenzimidazol-1-yl)-4-phenylbutan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]-3-phenyl-propyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=CC=CC=C2N1CC(CCC3=CC=CC=C3)OS(=O)(=O)O

Isomeric SMILES

CC1NC2=CC=CC=C2N1CC(CCC3=CC=CC=C3)OS(=O)(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-14-19-17-9-5-6-10-18(17)20(14)13-16(24-25(21,22)23)12-11-15-7-3-2-4-8-15/h2-10,14,16,19H,11-13H2,1H3,(H,21,22,23)