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

Systemtic Name: 1,4-bis[(3-ethoxy-4-fluoranyl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(3-ethoxy-4-fluoro-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(3-ethoxy-4-fluorophenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(3-ethoxy-4-fluorophenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(3-ethoxy-4-fluoro-phenyl)sulfonyl]-1,4-diazepane Formula: C21H26F2N2O6S2 MolecularWeight: 504.567746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)OCC)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)OCC)F

InChI

InChI=1S/C21H26F2N2O6S2/c1-3-30-20-14-16(6-8-18(20)22)32(26,27)24-10-5-11-25(13-12-24)33(28,29)17-7-9-19(23)21(15-17)31-4-2/h6-9,14-15H,3-5,10-13H2,1-2H3