1-methylsulfonyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)piperidine-4-carboxamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)N(C1=O)C)C

InChI

InChI=1S/C19H27N3O5S/c1-19(2)12-27-16-11-14(5-6-15(16)21(3)18(19)24)20-17(23)13-7-9-22(10-8-13)28(4,25)26/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,23)