N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C21H26N2O4S/c1-15(2)13-23-18-12-16(22-28(25,26)17-8-6-5-7-9-17)10-11-19(18)27-14-21(3,4)20(23)24/h5-12,15,22H,13-14H2,1-4H3