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

Systemtic Name: N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-ethyl-5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C(=O)N1

InChI

InChI=1S/C18H19N3O6S/c1-3-12-10-27-16-7-5-13(8-15(16)18(22)19-12)20-28(25,26)17-9-14(21(23)24)6-4-11(17)2/h4-9,12,20H,3,10H2,1-2H3,(H,19,22)