N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-naphthalen-1-yl-methanesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-naphthalen-1-yl-methanesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-(1-naphthyl)methanesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-(1-naphthalenyl)methanesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-naphthalen-1-ylmethanesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-(1-naphthyl)methanesulfonamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC4=CC=CC=C43)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC4=CC=CC=C43)N(C1=O)CC=C)C

InChI

InChI=1S/C25H26N2O4S/c1-4-14-27-22-13-12-20(15-23(22)31-17-25(2,3)24(27)28)26-32(29,30)16-19-10-7-9-18-8-5-6-11-21(18)19/h4-13,15,26H,1,14,16-17H2,2-3H3