pyrimidin-5-yl-[4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: pyrimidin-5-yl-[4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: pyrimidin-5-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: 5-pyrimidinyl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: pyrimidin-5-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 5-pyrimidyl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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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)C(=O)C3=CN=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O4S/c18-17(19,20)28-14-2-4-15(5-3-14)29(26,27)24-7-1-6-23(8-9-24)16(25)13-10-21-12-22-11-13/h2-5,10-12H,1,6-9H2