N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]propane-1-sulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]propane-1-sulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)propane-1-sulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-propanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]propane-1-sulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)propane-1-sulfonamide Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CC(C)C)(C)C

Isomeric SMILES

CCCS(=O)(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CC(C)C)(C)C

InChI

InChI=1S/C18H28N2O4S/c1-6-9-25(22,23)19-14-7-8-16-15(10-14)20(11-13(2)3)17(21)18(4,5)12-24-16/h7-8,10,13,19H,6,9,11-12H2,1-5H3