2-[2,6-bis(oxidanylidene)piperidin-1-yl]-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide

Systemtic Name: 2-[2,6-bis(oxidanylidene)piperidin-1-yl]-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(2,6-dioxo-1-piperidyl)ethanesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(2,6-dioxo-1-piperidinyl)ethanesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-glutarimido-ethanesulfonamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)CCN3C(=O)CCCC3=O)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)CCN3C(=O)CCCC3=O)N(C1=O)CC=C)C

InChI

InChI=1S/C21H27N3O6S/c1-4-10-23-16-9-8-15(13-17(16)30-14-21(2,3)20(23)27)22-31(28,29)12-11-24-18(25)6-5-7-19(24)26/h4,8-9,13,22H,1,5-7,10-12,14H2,2-3H3