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

Systemtic Name: tert-butyl (1R)-1-(methylsulfonyloxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Openeye Name: tert-butyl (1R)-7-benzyloxy-1-(methylsulfonyloxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate CAS Name: (1R)-1-(methylsulfonyloxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-(methylsulfonyloxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Traditional Name: (1R)-7-benzoxy-1-(methylsulfonyloxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)COS(=O)(=O)C

InChI

InChI=1S/C28H33NO6S/c1-28(2,3)35-27(30)29-16-10-13-21(19-34-36(4,31)32)26-23-15-9-8-14-22(23)25(17-24(26)29)33-18-20-11-6-5-7-12-20/h5-9,11-12,14-15,17,21H,10,13,16,18-19H2,1-4H3/t21-/m0/s1