N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-methylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-methylbenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-5-11-23-18-10-9-16(13-19(18)27-14-21(3,4)20(23)24)22-28(25,26)17-8-6-7-15(2)12-17/h6-10,12-13,22H,5,11,14H2,1-4H3