4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-benzenesulfonamide Formula: C15H14N2O6S2 MolecularWeight: 382.41146

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])OC1

InChI

InChI=1S/C15H14N2O6S2/c16-25(20,21)11-3-5-15(12(9-11)17(18)19)24-10-2-4-13-14(8-10)23-7-1-6-22-13/h2-5,8-9H,1,6-7H2,(H2,16,20,21)