N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-(2-methylpropoxy)benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-(2-methylpropoxy)benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-isobutoxy-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-(2-methylpropoxy)benzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-(2-methylpropoxy)benzenesulfonamide Traditional Name: 4-isobutoxy-N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C

InChI

InChI=1S/C21H26N2O5S/c1-14(2)12-27-16-6-8-17(9-7-16)29(25,26)23-15-5-10-19-18(11-15)22-20(24)21(3,4)13-28-19/h5-11,14,23H,12-13H2,1-4H3,(H,22,24)