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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-propoxy-benzenesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-propoxybenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-propoxybenzenesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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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)N3CCC(C)C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

InChI

InChI=1S/C25H34N2O5S/c1-6-15-31-20-8-10-21(11-9-20)33(29,30)26-19-7-12-23-22(16-19)27(14-13-18(2)3)24(28)25(4,5)17-32-23/h7-12,16,18,26H,6,13-15,17H2,1-5H3