4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S2/c1-3-19(4-2)28(23,24)14-6-8-18(15(12-14)20(21)22)27-13-5-7-16-17(11-13)26-10-9-25-16/h5-8,11-12H,3-4,9-10H2,1-2H3