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

Systemtic Name: 1-(2-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-chloro-4-fluoro-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-chloro-4-fluoro-phenyl)sulfonyl-4-tosyl-1,4-diazepane Formula: C18H20ClFN2O4S2 MolecularWeight: 446.943803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O4S2/c1-14-3-6-16(7-4-14)27(23,24)21-9-2-10-22(12-11-21)28(25,26)18-8-5-15(20)13-17(18)19/h3-8,13H,2,9-12H2,1H3