2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-prop-2-ynyl-propanamide

Systemtic Name: 2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-prop-2-ynyl-propanamide Openeye Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-prop-2-ynyl-propanamide CAS Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-N-prop-2-ynylpropanamide IUPAC Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-prop-2-ynylpropanamide Traditional Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]-N-propargyl-propionamide Formula: C17H19ClF3N3O3S MolecularWeight: 437.86427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC(C(=O)NCC#C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C17H19ClF3N3O3S/c1-3-6-22-16(25)12(2)23-7-9-24(10-8-23)28(26,27)13-4-5-15(18)14(11-13)17(19,20)21/h1,4-5,11-12H,6-10H2,2H3,(H,22,25)