N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-piperidinosulfonyl-benzamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OCC(C1=O)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-4-28-21-13-10-19(16-22(21)33-17-25(2,3)24(28)30)26-23(29)18-8-11-20(12-9-18)34(31,32)27-14-6-5-7-15-27/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,26,29)