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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)OCC(C1=O)(C)C

InChI

InChI=1S/C23H35N3O5S/c1-16(2)8-13-26-19-7-6-18(14-20(19)31-15-23(3,4)22(26)28)24-21(27)17-9-11-25(12-10-17)32(5,29)30/h6-7,14,16-17H,8-13,15H2,1-5H3,(H,24,27)