[5-(4-aminocarbonylimidazol-1-yl)-4-phenylmethoxy-pentyl] methanesulfonate

Systemtic Name: [5-(4-aminocarbonylimidazol-1-yl)-4-phenylmethoxy-pentyl] methanesulfonate Openeye Name: [4-benzyloxy-5-(4-carbamoylimidazol-1-yl)pentyl] methanesulfonate CAS Name: methanesulfonic acid [5-(4-carbamoyl-1-imidazolyl)-4-phenylmethoxypentyl] ester IUPAC Name: [5-(4-carbamoylimidazol-1-yl)-4-phenylmethoxypentyl] methanesulfonate Traditional Name: methanesulfonic acid [4-benzoxy-5-(4-carbamoylimidazol-1-yl)pentyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC(CN1C=C(N=C1)C(=O)N)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCCCC(CN1C=C(N=C1)C(=O)N)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O5S/c1-26(22,23)25-9-5-8-15(24-12-14-6-3-2-4-7-14)10-20-11-16(17(18)21)19-13-20/h2-4,6-7,11,13,15H,5,8-10,12H2,1H3,(H2,18,21)