tert-butyl 2-iodanyl-6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-iodanyl-6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 2-iodo-6-methylsulfonyloxy-3-(2-tetrahydropyran-2-yloxyethyl)indole-1-carboxylate CAS Name: 2-iodo-6-methylsulfonyloxy-3-[2-(2-oxanyloxy)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-iodo-6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]indole-1-carboxylate Traditional Name: 2-iodo-6-methylsulfonyloxy-3-(2-tetrahydropyran-2-yloxyethyl)indole-1-carboxylic acid tert-butyl ester Formula: C21H28INO7S MolecularWeight: 565.41899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C)C(=C1I)CCOC3CCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C)C(=C1I)CCOC3CCCCO3

InChI

InChI=1S/C21H28INO7S/c1-21(2,3)29-20(24)23-17-13-14(30-31(4,25)26)8-9-15(17)16(19(23)22)10-12-28-18-7-5-6-11-27-18/h8-9,13,18H,5-7,10-12H2,1-4H3