1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-fluoro-4-methylsulfonyl-phenyl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-fluoro-4-mesyl-phenyl)-4-tosyl-1,4-diazepane Formula: C19H23FN2O4S2 MolecularWeight: 426.525323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C19H23FN2O4S2/c1-15-4-6-16(7-5-15)28(25,26)22-11-3-10-21(12-13-22)19-9-8-17(14-18(19)20)27(2,23)24/h4-9,14H,3,10-13H2,1-2H3