2-[(4S,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4S,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(4S,5R)-5-(tert-butoxycarbonylamino)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4S,5R)-2,2-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 2-[(4S,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4S,5R)-5-(tert-butoxycarbonylamino)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl ester Formula: C20H31NO7S MolecularWeight: 429.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2C(COC(O2)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H]2[C@@H](COC(O2)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31NO7S/c1-14-7-9-15(10-8-14)29(23,24)26-12-11-17-16(13-25-20(5,6)27-17)21-18(22)28-19(2,3)4/h7-10,16-17H,11-13H2,1-6H3,(H,21,22)/t16-,17+/m1/s1