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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-5-ethyl-thiophene-2-sulfonamide Openeye Name: 5-ethyl-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-5-ethyl-2-thiophenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-5-ethylthiophene-2-sulfonamide Traditional Name: 5-ethyl-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C

InChI

InChI=1S/C21H28N2O4S2/c1-6-16-8-10-19(28-16)29(25,26)22-15-7-9-18-17(11-15)23(12-14(2)3)20(24)21(4,5)13-27-18/h7-11,14,22H,6,12-13H2,1-5H3