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

Systemtic Name: 5-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)thiophene-2-sulfonamide Openeye Name: 5-chloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)thiophene-2-sulfonamide CAS Name: 5-chloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)thiophene-2-sulfonamide Traditional Name: 5-chloro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)thiophene-2-sulfonamide Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C18H21ClN2O4S2/c1-4-9-21-13-6-5-12(10-14(13)25-11-18(2,3)17(21)22)20-27(23,24)16-8-7-15(19)26-16/h5-8,10,20H,4,9,11H2,1-3H3