5-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]thiophene-2-sulfonamide Openeye Name: 5-chloro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)thiophene-2-sulfonamide CAS Name: 5-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]thiophene-2-sulfonamide Traditional Name: 5-chloro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)thiophene-2-sulfonamide Formula: C20H25ClN2O4S2 MolecularWeight: 457.0065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C20H25ClN2O4S2/c1-13(2)9-10-23-15-6-5-14(11-16(15)27-12-20(3,4)19(23)24)22-29(25,26)18-8-7-17(21)28-18/h5-8,11,13,22H,9-10,12H2,1-4H3