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

Systemtic Name: N-(3,3-dimethyl-5-oxidanylidene-2,4-dihydro-1,4-benzoxazepin-7-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-4-propyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-4-propylbenzenesulfonamide Traditional Name: N-(5-keto-3,3-dimethyl-2,4-dihydro-1,4-benzoxazepin-7-yl)-4-propyl-benzenesulfonamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(NC3=O)(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(NC3=O)(C)C

InChI

InChI=1S/C20H24N2O4S/c1-4-5-14-6-9-16(10-7-14)27(24,25)22-15-8-11-18-17(12-15)19(23)21-20(2,3)13-26-18/h6-12,22H,4-5,13H2,1-3H3,(H,21,23)