tert-butyl N-[6-[[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[6-[[2,3-dihydrobenzofuran-5-yl-(4-methylsulfonylphenyl)methyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[6-[[2,3-dihydrobenzofuran-5-yl-(4-methylsulfonylphenyl)methyl]amino]-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]amino]-6-oxohexyl]carbamate Traditional Name: N-[6-[[coumaran-5-yl-(4-mesylphenyl)methyl]amino]-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C27H36N2O6S MolecularWeight: 516.64954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)NC(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C27H36N2O6S/c1-27(2,3)35-26(31)28-16-7-5-6-8-24(30)29-25(19-9-12-22(13-10-19)36(4,32)33)21-11-14-23-20(18-21)15-17-34-23/h9-14,18,25H,5-8,15-17H2,1-4H3,(H,28,31)(H,29,30)