6,6-bis(fluoranyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 6,6-bis(fluoranyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 6,6-difluoro-1,4-bis(p-tolylsulfonyl)-1,4-diazepane CAS Name: 6,6-difluoro-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 6,6-difluoro-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 6,6-difluoro-1,4-ditosyl-1,4-diazepane Formula: C19H22F2N2O4S2 MolecularWeight: 444.515786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(C2)(F)F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(C2)(F)F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H22F2N2O4S2/c1-15-3-7-17(8-4-15)28(24,25)22-11-12-23(14-19(20,21)13-22)29(26,27)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3