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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OCC(C)C)C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OCC(C)C)C(=O)N1

InChI

InChI=1S/C21H26N2O5S/c1-4-15-13-28-20-10-5-16(11-19(20)21(24)22-15)23-29(25,26)18-8-6-17(7-9-18)27-12-14(2)3/h5-11,14-15,23H,4,12-13H2,1-3H3,(H,22,24)