1-methylsulfonyl-N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)piperidine-4-carboxamide Traditional Name: N-(6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H21N3O5S/c1-29(26,27)23-10-8-13(9-11-23)19(24)21-14-6-7-17-15(12-14)20(25)22-16-4-2-3-5-18(16)28-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)(H,22,25)