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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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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)N4CCCC4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N(C1=O)CC=C)C

InChI

InChI=1S/C25H29N3O5S/c1-4-13-28-21-12-9-19(16-22(21)33-17-25(2,3)24(28)30)26-23(29)18-7-10-20(11-8-18)34(31,32)27-14-5-6-15-27/h4,7-12,16H,1,5-6,13-15,17H2,2-3H3,(H,26,29)