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

Systemtic Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]-4-fluoro-benzenesulfonamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O5S/c1-3-19-21(25)24(11-4-12-28-2)14-15-13-17(7-10-20(15)29-19)23-30(26,27)18-8-5-16(22)6-9-18/h5-10,13,19,23H,3-4,11-12,14H2,1-2H3