tert-butyl 1-(methylsulfonyloxymethyl)-7-oxidanyl-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate

Systemtic Name: tert-butyl 1-(methylsulfonyloxymethyl)-7-oxidanyl-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-hydroxy-1-(methylsulfonyloxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate CAS Name: 7-hydroxy-1-(methylsulfonyloxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-hydroxy-1-(methylsulfonyloxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Traditional Name: 7-hydroxy-1-(methylsulfonyloxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid tert-butyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)O)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)O)COS(=O)(=O)C

InChI

InChI=1S/C21H27NO6S/c1-21(2,3)28-20(24)16-10-7-11-22(13-27-29(4,25)26)19-15-9-6-5-8-14(15)18(23)12-17(16)19/h5-6,8-9,12,16,23H,7,10-11,13H2,1-4H3