3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-N-methylsulfonyl-propanamide

Systemtic Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-N-methylsulfonyl-propanamide Openeye Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-N-methylsulfonyl-propanamide CAS Name: 3-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2,2-dimethyl-N-methylsulfonylpropanamide IUPAC Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethyl-N-methylsulfonylpropanamide Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-N-mesyl-2,2-dimethyl-propionamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C23H28N4O4S/c1-23(2,22(28)25-32(3,29)30)16-26-12-14-27(15-13-26)21-17-8-4-6-10-19(17)31-20-11-7-5-9-18(20)24-21/h4-11H,12-16H2,1-3H3,(H,25,28)