N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide

Systemtic Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CCCOC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CCCOC

InChI

InChI=1S/C21H26N2O5S/c1-3-19-21(24)23(12-7-13-27-2)15-16-14-17(10-11-20(16)28-19)22-29(25,26)18-8-5-4-6-9-18/h4-6,8-11,14,19,22H,3,7,12-13,15H2,1-2H3