[(2R,5R)-5-[(4-methylphenyl)sulfonylamino]-1-phenylmethoxy-hexan-2-yl] methanesulfonate

Systemtic Name: [(2R,5R)-5-[(4-methylphenyl)sulfonylamino]-1-phenylmethoxy-hexan-2-yl] methanesulfonate Openeye Name: [(1R,4R)-1-(benzyloxymethyl)-4-(p-tolylsulfonylamino)pentyl] methanesulfonate CAS Name: methanesulfonic acid [(2R,5R)-5-[(4-methylphenyl)sulfonylamino]-1-phenylmethoxyhexan-2-yl] ester IUPAC Name: [(2R,5R)-5-[(4-methylphenyl)sulfonylamino]-1-phenylmethoxyhexan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,4R)-1-(benzoxymethyl)-4-(tosylamino)pentyl] ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)CCC(COCC2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C)CC[C@H](COCC2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H29NO6S2/c1-17-9-13-21(14-10-17)30(25,26)22-18(2)11-12-20(28-29(3,23)24)16-27-15-19-7-5-4-6-8-19/h4-10,13-14,18,20,22H,11-12,15-16H2,1-3H3/t18-,20-/m1/s1