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

Systemtic Name: methyl 1-(methylsulfonyloxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Openeye Name: methyl 7-benzyloxy-1-(methylsulfonyloxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate CAS Name: 1-(methylsulfonyloxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(methylsulfonyloxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Traditional Name: 7-benzoxy-1-(methylsulfonyloxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)COS(=O)(=O)C

Isomeric SMILES

COC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)COS(=O)(=O)C

InChI

InChI=1S/C25H27NO6S/c1-30-25(27)26-14-8-11-19(17-32-33(2,28)29)24-21-13-7-6-12-20(21)23(15-22(24)26)31-16-18-9-4-3-5-10-18/h3-7,9-10,12-13,15,19H,8,11,14,16-17H2,1-2H3