1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-fluoro-4-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-fluoro-4-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-1,4-diazepane Formula: C20H25FN2O7S2 MolecularWeight: 488.550103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)F)OC

InChI

InChI=1S/C20H25FN2O7S2/c1-28-18-7-5-15(13-17(18)21)31(24,25)22-9-4-10-23(12-11-22)32(26,27)16-6-8-19(29-2)20(14-16)30-3/h5-8,13-14H,4,9-12H2,1-3H3