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

Systemtic Name: 3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methoxy-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-chloro-4-methoxy-benzenesulfonamide CAS Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methoxybenzenesulfonamide IUPAC Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methoxybenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-chloro-4-methoxy-benzenesulfonamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-5-10-24-17-11-14(6-8-19(17)29-13-21(2,3)20(24)25)23-30(26,27)15-7-9-18(28-4)16(22)12-15/h5-9,11-12,23H,1,10,13H2,2-4H3