1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-phenyl]sulfonylpiperidine Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S2/c23-22(24)17-14-16(30(25,26)21-9-2-1-3-10-21)6-8-20(17)29-15-5-7-18-19(13-15)28-12-4-11-27-18/h5-8,13-14H,1-4,9-12H2