1-(pyridin-4-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(pyridin-4-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(4-pyridylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(pyridin-4-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(pyridin-4-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(4-pyridylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Formula: C18H20F3N3O3S MolecularWeight: 415.42991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3O3S/c19-18(20,21)27-16-2-4-17(5-3-16)28(25,26)24-11-1-10-23(12-13-24)14-15-6-8-22-9-7-15/h2-9H,1,10-14H2