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

Systemtic Name: 2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-N-prop-2-enylpropanamide IUPAC Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]propionamide Formula: C17H21ClF3N3O3S MolecularWeight: 439.88015

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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/C17H21ClF3N3O3S/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/h3-5,11-12H,1,6-10H2,2H3,(H,22,25)