1,4-bis[(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl]-1,4-diazepane Formula: C21H26F2N2O8S2 MolecularWeight: 536.566546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)F)F

Isomeric SMILES

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)F)F

InChI

InChI=1S/C21H26F2N2O8S2/c1-30-16-10-14(22)20(12-18(16)32-3)34(26,27)24-6-5-7-25(9-8-24)35(28,29)21-13-19(33-4)17(31-2)11-15(21)23/h10-13H,5-9H2,1-4H3