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

Systemtic Name: 1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-(2-methylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2-fluoro-4-methylsulfonyl-phenyl)-4-(2-methylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-(2-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-(2-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2-fluoro-4-mesyl-phenyl)-4-(2-mesylphenyl)sulfonyl-1,4-diazepane Formula: C19H23FN2O6S3 MolecularWeight: 490.589123

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)F

InChI

InChI=1S/C19H23FN2O6S3/c1-29(23,24)15-8-9-17(16(20)14-15)21-10-5-11-22(13-12-21)31(27,28)19-7-4-3-6-18(19)30(2,25)26/h3-4,6-9,14H,5,10-13H2,1-2H3