N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-morpholinosulfonyl-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-morpholinosulfonyl-benzamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N(C1=O)CC=C)C

InChI

InChI=1S/C25H29N3O6S/c1-4-11-28-21-10-7-19(16-22(21)34-17-25(2,3)24(28)30)26-23(29)18-5-8-20(9-6-18)35(31,32)27-12-14-33-15-13-27/h4-10,16H,1,11-15,17H2,2-3H3,(H,26,29)