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

Systemtic Name: 5-chloranyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]thiophene-2-sulfonamide Openeye Name: 5-chloro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide CAS Name: 5-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]thiophene-2-sulfonamide Traditional Name: 5-chloro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide Formula: C19H23ClN2O4S2 MolecularWeight: 442.97992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C19H23ClN2O4S2/c1-12(2)10-22-14-9-13(21-28(24,25)17-8-7-16(20)27-17)5-6-15(14)26-11-19(3,4)18(22)23/h5-9,12,21H,10-11H2,1-4H3