4-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzenesulfonamide Formula: C15H13ClN2O6S MolecularWeight: 384.79152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC1

InChI

InChI=1S/C15H13ClN2O6S/c16-12-4-3-11(9-13(12)18(19)20)25(21,22)17-10-2-5-14-15(8-10)24-7-1-6-23-14/h2-5,8-9,17H,1,6-7H2