1,4-bis[(4-fluoranyl-3-methoxy-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4-fluoranyl-3-methoxy-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-fluoro-3-methoxy-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(4-fluoro-3-methoxy-phenyl)sulfonyl]-1,4-diazepane Formula: C19H22F2N2O6S2 MolecularWeight: 476.514586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F2N2O6S2/c1-28-18-12-14(4-6-16(18)20)30(24,25)22-8-3-9-23(11-10-22)31(26,27)15-5-7-17(21)19(13-15)29-2/h4-7,12-13H,3,8-11H2,1-2H3