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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-5-methyl-thiophene-2-sulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-methyl-thiophene-2-sulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-5-methyl-2-thiophenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-5-methylthiophene-2-sulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-5-methyl-thiophene-2-sulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

InChI

InChI=1S/C21H28N2O4S2/c1-14(2)10-11-23-17-12-16(22-29(25,26)19-9-6-15(3)28-19)7-8-18(17)27-13-21(4,5)20(23)24/h6-9,12,14,22H,10-11,13H2,1-5H3