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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-methyl-3-nitro-benzenesulfonamide Formula: C15H14N2O6S2 MolecularWeight: 382.41146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6S2/c1-16-25(20,21)11-3-5-15(12(9-11)17(18)19)24-10-2-4-13-14(8-10)23-7-6-22-13/h2-5,8-9,16H,6-7H2,1H3