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

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

CCN1CCOC2=C(C1=O)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCOC2=C(C1=O)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

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