tert-butyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-5-(4-methylphenyl)sulfonyloxy-pentanoate

Systemtic Name: tert-butyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-5-(4-methylphenyl)sulfonyloxy-pentanoate Openeye Name: tert-butyl 2-(2,3-dihydrobenzofuran-2-ylmethylamino)-5-(p-tolylsulfonyloxy)pentanoate CAS Name: 2-(2,3-dihydrobenzofuran-2-ylmethylamino)-5-(4-methylphenyl)sulfonyloxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-5-(4-methylphenyl)sulfonyloxypentanoate Traditional Name: 2-(coumaran-2-ylmethylamino)-5-tosyloxy-valeric acid tert-butyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C(=O)OC(C)(C)C)NCC2CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C(=O)OC(C)(C)C)NCC2CC3=CC=CC=C3O2

InChI

InChI=1S/C25H33NO6S/c1-18-11-13-21(14-12-18)33(28,29)30-15-7-9-22(24(27)32-25(2,3)4)26-17-20-16-19-8-5-6-10-23(19)31-20/h5-6,8,10-14,20,22,26H,7,9,15-17H2,1-4H3