N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)OCC(C1=O)(C)C

InChI

InChI=1S/C22H33N3O5S/c1-15(2)13-25-18-7-6-17(12-19(18)30-14-22(3,4)21(25)27)23-20(26)16-8-10-24(11-9-16)31(5,28)29/h6-7,12,15-16H,8-11,13-14H2,1-5H3,(H,23,26)