N-prop-2-ynyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-prop-2-ynyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-prop-2-ynyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-[oxo-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: N-prop-2-ynyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-propargyl-4-[4-[3-(trifluoromethyl)benzyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C22H22F3N3O3S MolecularWeight: 465.48859

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O3S/c1-2-10-26-32(30,31)20-8-6-18(7-9-20)21(29)28-13-11-27(12-14-28)16-17-4-3-5-19(15-17)22(23,24)25/h1,3-9,15,26H,10-14,16H2