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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)O)COS(=O)(=O)C

Isomeric SMILES

COC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)O)COS(=O)(=O)C

InChI

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