1-(4-tert-butylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C22H27F3N2O4S2 MolecularWeight: 504.58599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O4S2/c1-21(2,3)17-5-9-19(10-6-17)32(28,29)26-13-4-14-27(16-15-26)33(30,31)20-11-7-18(8-12-20)22(23,24)25/h5-12H,4,13-16H2,1-3H3