N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-methyl-benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-methyl-benzenesulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-methylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-methylbenzenesulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

InChI

InChI=1S/C22H28N2O4S/c1-15(2)13-24-19-10-9-17(12-20(19)28-14-22(4,5)21(24)25)23-29(26,27)18-8-6-7-16(3)11-18/h6-12,15,23H,13-14H2,1-5H3