N-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]propane-1-sulfonamide

Systemtic Name: N-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]propane-1-sulfonamide Openeye Name: N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]propane-1-sulfonamide CAS Name: N-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinyl]-1-propanesulfonamide IUPAC Name: N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]propane-1-sulfonamide Traditional Name: N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazin-3-yl]propane-1-sulfonamide Formula: C19H22F3N5O3S MolecularWeight: 457.46989

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)NC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H22F3N5O3S/c1-2-13-31(29,30)25-16-7-8-17(24-23-16)26-9-11-27(12-10-26)18(28)14-5-3-4-6-15(14)19(20,21)22/h3-8H,2,9-13H2,1H3,(H,23,25)