1-(thiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(thiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(3-thienylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(3-thiophenylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(thiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(3-thenyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C17H19F3N2O2S2 MolecularWeight: 404.47017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC3=CSC=C3

InChI

InChI=1S/C17H19F3N2O2S2/c18-17(19,20)15-4-1-2-5-16(15)26(23,24)22-8-3-7-21(9-10-22)12-14-6-11-25-13-14/h1-2,4-6,11,13H,3,7-10,12H2