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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-thenyl)-1,4-diazepane Formula: C17H18ClF3N2O2S2 MolecularWeight: 438.91523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClF3N2O2S2/c18-16-5-4-14(11-15(16)17(19,20)21)27(24,25)23-7-2-6-22(8-9-23)12-13-3-1-10-26-13/h1,3-5,10-11H,2,6-9,12H2