N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-ethyl-thiophene-2-sulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-ethyl-thiophene-2-sulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-ethyl-thiophene-2-sulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-ethyl-2-thiophenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-ethylthiophene-2-sulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-5-ethyl-thiophene-2-sulfonamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

InChI

InChI=1S/C20H24N2O4S2/c1-5-11-22-16-12-14(7-9-17(16)26-13-20(3,4)19(22)23)21-28(24,25)18-10-8-15(6-2)27-18/h5,7-10,12,21H,1,6,11,13H2,2-4H3