3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxan-2-yloxy)ethyl]amino]propyl 4-bromanylbenzenesulfonate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxan-2-yloxy)ethyl]amino]propyl 4-bromanylbenzenesulfonate Openeye Name: 3-[tert-butoxycarbonyl(2-tetrahydropyran-2-yloxyethyl)amino]propyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-(2-oxanyloxy)ethyl]amino]propyl ester IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxan-2-yloxy)ethyl]amino]propyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid 3-[tert-butoxycarbonyl(2-tetrahydropyran-2-yloxyethyl)amino]propyl ester Formula: C21H32BrNO7S MolecularWeight: 522.45028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCOS(=O)(=O)C1=CC=C(C=C1)Br)CCOC2CCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCOS(=O)(=O)C1=CC=C(C=C1)Br)CCOC2CCCCO2

InChI

InChI=1S/C21H32BrNO7S/c1-21(2,3)30-20(24)23(13-16-28-19-7-4-5-14-27-19)12-6-15-29-31(25,26)18-10-8-17(22)9-11-18/h8-11,19H,4-7,12-16H2,1-3H3