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

Systemtic Name: 3-chloranyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-methyl-benzenesulfonamide Openeye Name: 3-chloro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide CAS Name: 3-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-methylbenzenesulfonamide Traditional Name: 3-chloro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-14(2)12-25-19-10-16(7-9-20(19)29-13-22(4,5)21(25)26)24-30(27,28)17-8-6-15(3)18(23)11-17/h6-11,14,24H,12-13H2,1-5H3