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

Systemtic Name: 1-(phenylmethyl)-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-benzyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(phenylmethyl)-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-benzyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Formula: C19H21F3N2O3S MolecularWeight: 414.44185

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H21F3N2O3S/c20-19(21,22)27-17-9-4-5-10-18(17)28(25,26)24-12-6-11-23(13-14-24)15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2