1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C20H20F6N2O2S MolecularWeight: 466.440419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H20F6N2O2S/c21-19(22,23)16-11-17(20(24,25)26)13-18(12-16)31(29,30)28-8-4-7-27(9-10-28)14-15-5-2-1-3-6-15/h1-3,5-6,11-13H,4,7-10,14H2