1-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3-chloro-2-fluoro-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(3-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3-chloro-2-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(=CC=C3)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O4S2/c1-14-6-8-15(9-7-14)27(23,24)21-10-3-11-22(13-12-21)28(25,26)17-5-2-4-16(19)18(17)20/h2,4-9H,3,10-13H2,1H3