2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxan-2-yloxy)ethyl]amino]ethyl 4-bromanylbenzenesulfonate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxan-2-yloxy)ethyl]amino]ethyl 4-bromanylbenzenesulfonate Openeye Name: 2-[tert-butoxycarbonyl(2-tetrahydropyran-2-yloxyethyl)amino]ethyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-(2-oxanyloxy)ethyl]amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxan-2-yloxy)ethyl]amino]ethyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid 2-[tert-butoxycarbonyl(2-tetrahydropyran-2-yloxyethyl)amino]ethyl ester Formula: C20H30BrNO7S MolecularWeight: 508.4237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC1CCCCO1)CCOS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC1CCCCO1)CCOS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H30BrNO7S/c1-20(2,3)29-19(23)22(11-14-27-18-6-4-5-13-26-18)12-15-28-30(24,25)17-9-7-16(21)8-10-17/h7-10,18H,4-6,11-15H2,1-3H3