2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[tert-butoxycarbonyl(2-methylallyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-methylprop-2-enyl)amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[tert-butoxycarbonyl(2-methylallyl)amino]ethyl ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CC(=C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CC(=C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27NO5S/c1-14(2)13-19(17(20)24-18(4,5)6)11-12-23-25(21,22)16-9-7-15(3)8-10-16/h7-10H,1,11-13H2,2-6H3