N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]ethanesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]ethanesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]ethanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]ethanesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

InChI

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