1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2,4-dimesylphenyl)-4-(4-fluorophenyl)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=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O6S3/c1-29(23,24)17-8-9-18(19(14-17)30(2,25)26)21-10-3-11-22(13-12-21)31(27,28)16-6-4-15(20)5-7-16/h4-9,14H,3,10-13H2,1-2H3