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

Systemtic Name: methyl 1-(methylsulfonyloxymethyl)-7-oxidanyl-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-24-18(21)14-8-5-9-19(11-25-26(2,22)23)17-13-7-4-3-6-12(13)16(20)10-15(14)17/h3-4,6-7,10,14,20H,5,8-9,11H2,1-2H3