3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-N-methylsulfonyl-propanamide

Systemtic Name: 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-N-methylsulfonyl-propanamide Openeye Name: 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-N-methylsulfonyl-propanamide CAS Name: 3-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2,2-dimethyl-N-methylsulfonylpropanamide IUPAC Name: 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2,2-dimethyl-N-methylsulfonylpropanamide Traditional Name: N-mesyl-3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2,2-dimethyl-propionamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OC)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OC)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C24H30N4O5S/c1-24(2,23(29)26-34(4,30)31)16-27-11-13-28(14-12-27)22-18-15-17(32-3)9-10-20(18)33-21-8-6-5-7-19(21)25-22/h5-10,15H,11-14,16H2,1-4H3,(H,26,29)