2,5-bis(chloranyl)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide

Systemtic Name: 2,5-bis(chloranyl)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Openeye Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide CAS Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide IUPAC Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Traditional Name: 2,5-dichloro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Formula: C20H22Cl2N2O4S MolecularWeight: 457.37068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C20H22Cl2N2O4S/c1-4-9-24-16-8-6-14(11-17(16)28-12-20(2,3)19(24)25)23-29(26,27)18-10-13(21)5-7-15(18)22/h5-8,10-11,23H,4,9,12H2,1-3H3