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

Systemtic Name: N-(2-methyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide Openeye Name: N-(2-methyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide CAS Name: N-(2-methyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propoxybenzenesulfonamide IUPAC Name: N-(2-methyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propoxybenzenesulfonamide Traditional Name: N-(5-keto-2-methyl-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-propoxy-benzenesulfonamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(CNC3=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(CNC3=O)C

InChI

InChI=1S/C19H22N2O5S/c1-3-10-25-15-5-7-16(8-6-15)27(23,24)21-14-4-9-18-17(11-14)19(22)20-12-13(2)26-18/h4-9,11,13,21H,3,10,12H2,1-2H3,(H,20,22)