3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide Openeye Name: 3-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide CAS Name: 3-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-methylbenzenesulfonamide Traditional Name: 3-chloro-N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-11-4-6-13(9-14(11)19)26(23,24)21-12-5-7-16-15(8-12)20-17(22)18(2,3)10-25-16/h4-9,21H,10H2,1-3H3,(H,20,22)