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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]thiophene-2-sulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-thiophenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]thiophene-2-sulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C20H26N2O4S2/c1-14(2)9-10-22-16-12-15(21-28(24,25)18-6-5-11-27-18)7-8-17(16)26-13-20(3,4)19(22)23/h5-8,11-12,14,21H,9-10,13H2,1-4H3