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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methyl-3-nitro-benzenesulfonamide Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-17-26(21,22)12-4-6-16(13(10-12)18(19)20)25-11-3-5-14-15(9-11)24-8-2-7-23-14/h3-6,9-10,17H,2,7-8H2,1H3