[(3R,4S)-3-(4-aminocarbonylimidazol-1-yl)-4-phenylmethoxy-pentyl] methanesulfonate

Systemtic Name: [(3R,4S)-3-(4-aminocarbonylimidazol-1-yl)-4-phenylmethoxy-pentyl] methanesulfonate Openeye Name: [(3R,4S)-4-benzyloxy-3-(4-carbamoylimidazol-1-yl)pentyl] methanesulfonate CAS Name: methanesulfonic acid [(3R,4S)-3-(4-carbamoyl-1-imidazolyl)-4-phenylmethoxypentyl] ester IUPAC Name: [(3R,4S)-3-(4-carbamoylimidazol-1-yl)-4-phenylmethoxypentyl] methanesulfonate Traditional Name: methanesulfonic acid [(3R,4S)-4-benzoxy-3-(4-carbamoylimidazol-1-yl)pentyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCOS(=O)(=O)C)N1C=C(N=C1)C(=O)N)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](CCOS(=O)(=O)C)N1C=C(N=C1)C(=O)N)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O5S/c1-13(24-11-14-6-4-3-5-7-14)16(8-9-25-26(2,22)23)20-10-15(17(18)21)19-12-20/h3-7,10,12-13,16H,8-9,11H2,1-2H3,(H2,18,21)/t13-,16+/m0/s1