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

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-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)S(=O)(=O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

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

InChI

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