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

Systemtic Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(2-thienylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(2-thenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Formula: C17H19F3N2O3S2 MolecularWeight: 420.46957

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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=CS3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)CC3=CC=CS3

InChI

InChI=1S/C17H19F3N2O3S2/c18-17(19,20)25-14-4-6-16(7-5-14)27(23,24)22-9-2-8-21(10-11-22)13-15-3-1-12-26-15/h1,3-7,12H,2,8-11,13H2