tert-butyl N-(2-nitrophenyl)sulfonyl-N-[2-(5-oxidanyl-1-benzofuran-3-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-(2-nitrophenyl)sulfonyl-N-[2-(5-oxidanyl-1-benzofuran-3-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(5-hydroxybenzofuran-3-yl)ethyl]-N-(2-nitrophenyl)sulfonyl-carbamate CAS Name: N-[2-(5-hydroxy-3-benzofuranyl)ethyl]-N-(2-nitrophenyl)sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-N-(2-nitrophenyl)sulfonylcarbamate Traditional Name: N-[2-(5-hydroxybenzofuran-3-yl)ethyl]-N-(2-nitrophenyl)sulfonyl-carbamic acid tert-butyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC1=COC2=C1C=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC1=COC2=C1C=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8S/c1-21(2,3)31-20(25)22(32(28,29)19-7-5-4-6-17(19)23(26)27)11-10-14-13-30-18-9-8-15(24)12-16(14)18/h4-9,12-13,24H,10-11H2,1-3H3