1-(thiophen-3-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(thiophen-3-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(3-thienylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(3-thiophenylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N2O3S2/c18-17(19,20)25-15-2-4-16(5-3-15)27(23,24)22-8-1-7-21(9-10-22)12-14-6-11-26-13-14/h2-6,11,13H,1,7-10,12H2