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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-propoxy-benzenesulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-propoxybenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-propoxybenzenesulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C

InChI

InChI=1S/C24H32N2O5S/c1-6-13-30-19-8-10-20(11-9-19)32(28,29)25-18-7-12-22-21(14-18)26(15-17(2)3)23(27)24(4,5)16-31-22/h7-12,14,17,25H,6,13,15-16H2,1-5H3