[(2R,3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-2-(phenylsulfonylamino)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-2-(phenylsulfonylamino)hexyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-2-(benzenesulfonamido)-6-(tert-butoxycarbonylamino)-3-hydroxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-(benzenesulfonamido)-3-hydroxy-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl] ester IUPAC Name: [(2R,3R)-2-(benzenesulfonamido)-3-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-(benzenesulfonamido)-6-(tert-butoxycarbonylamino)-3-hydroxy-hexyl] ester Formula: C24H34N2O8S2 MolecularWeight: 542.66536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CCCNC(=O)OC(C)(C)C)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H](CCCNC(=O)OC(C)(C)C)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H34N2O8S2/c1-18-12-14-20(15-13-18)36(31,32)33-17-21(26-35(29,30)19-9-6-5-7-10-19)22(27)11-8-16-25-23(28)34-24(2,3)4/h5-7,9-10,12-15,21-22,26-27H,8,11,16-17H2,1-4H3,(H,25,28)/t21-,22-/m1/s1