5-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-chloro-thiophene-2-sulfonamide CAS Name: 5-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-5-chloro-thiophene-2-sulfonamide Formula: C18H19ClN2O4S2 MolecularWeight: 426.93746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C18H19ClN2O4S2/c1-4-9-21-13-10-12(20-27(23,24)16-8-7-15(19)26-16)5-6-14(13)25-11-18(2,3)17(21)22/h4-8,10,20H,1,9,11H2,2-3H3