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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-propyl-benzenesulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-propylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-propylbenzenesulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

InChI

InChI=1S/C24H32N2O4S/c1-6-7-18-8-11-20(12-9-18)31(28,29)25-19-10-13-21-22(14-19)30-16-24(4,5)23(27)26(21)15-17(2)3/h8-14,17,25H,6-7,15-16H2,1-5H3