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

Systemtic Name: N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propyl-benzenesulfonamide CAS Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propylbenzenesulfonamide Traditional Name: N-(3-ethyl-5-keto-3,4-dihydro-2H-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)CC

Isomeric SMILES

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

InChI

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