4-tert-butyl-N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 4-tert-butyl-N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(3-ethyl-5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)N1

InChI

InChI=1S/C21H26N2O4S/c1-5-15-13-27-19-11-8-16(12-18(19)20(24)22-15)23-28(25,26)17-9-6-14(7-10-17)21(2,3)4/h6-12,15,23H,5,13H2,1-4H3,(H,22,24)