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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]naphthalene-2-sulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)naphthalene-2-sulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-naphthalenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]naphthalene-2-sulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)naphthalene-2-sulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C26H30N2O4S/c1-18(2)13-14-28-23-16-21(10-12-24(23)32-17-26(3,4)25(28)29)27-33(30,31)22-11-9-19-7-5-6-8-20(19)15-22/h5-12,15-16,18,27H,13-14,17H2,1-4H3