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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]butane-1-sulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)butane-1-sulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-butanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]butane-1-sulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)butane-1-sulfonamide Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S/c1-6-7-12-27(24,25)21-16-8-9-17-18(13-16)26-14-20(4,5)19(23)22(17)11-10-15(2)3/h8-9,13,15,21H,6-7,10-12,14H2,1-5H3