1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Formula: C19H20BrF3N2O3S MolecularWeight: 493.33791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrF3N2O3S/c20-16-7-8-18(17(13-16)28-19(21,22)23)29(26,27)25-10-4-9-24(11-12-25)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2