5-[(4-methylsulfonylphenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-[(4-methylsulfonylphenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-[(4-methylsulfonylphenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(4-methylsulfonylphenyl)methyl]-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(4-methylsulfonylphenyl)methyl]-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(4-mesylbenzyl)-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC=C4N5CCNCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC=C4N5CCNCC5

InChI

InChI=1S/C25H25N3O4S/c1-33(30,31)19-11-9-18(10-12-19)17-28-21-6-2-3-8-23(21)32-24-20(25(28)29)5-4-7-22(24)27-15-13-26-14-16-27/h2-12,26H,13-17H2,1H3