N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)C(CO3)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)C(CO3)(C)C)C

InChI

InChI=1S/C20H24N2O4S/c1-12-8-14(3)18(9-13(12)2)27(24,25)22-15-6-7-16-17(10-15)26-11-20(4,5)19(23)21-16/h6-10,22H,11H2,1-5H3,(H,21,23)