tert-butyl (1S)-4-iodanyl-5-(methoxymethoxy)-1-(methylsulfonyloxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-4-iodanyl-5-(methoxymethoxy)-1-(methylsulfonyloxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-4-iodo-5-(methoxymethoxy)-1-(methylsulfonyloxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-4-iodo-5-(methoxymethoxy)-1-(methylsulfonyloxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-4-iodo-5-(methoxymethoxy)-1-(methylsulfonyloxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-4-iodo-5-(methoxymethoxy)-1-(methylsulfonyloxymethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C21H26INO7S MolecularWeight: 563.40311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C(=C(C3=CC=CC=C32)OCOC)I)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C1C(=C(C3=CC=CC=C32)OCOC)I)COS(=O)(=O)C

InChI

InChI=1S/C21H26INO7S/c1-21(2,3)30-20(24)23-10-13(11-29-31(5,25)26)16-14-8-6-7-9-15(14)19(28-12-27-4)17(22)18(16)23/h6-9,13H,10-12H2,1-5H3/t13-/m0/s1