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

Systemtic Name: tert-butyl 1-(methylsulfonyloxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-benzyloxy-1-(methylsulfonyloxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate CAS Name: 1-(methylsulfonyloxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(methylsulfonyloxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Traditional Name: 7-benzoxy-1-(methylsulfonyloxymethyl)-2,3,4,5-tetrahydrobenzo[i][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)C1CCCN(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN(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)23-15-10-16-29(19-34-36(4,31)32)26-22-14-9-8-13-21(22)25(17-24(23)26)33-18-20-11-6-5-7-12-20/h5-9,11-14,17,23H,10,15-16,18-19H2,1-4H3