N-cyclopropyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C20H21F3N4O3S MolecularWeight: 454.46595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O3S/c21-20(22,23)15-4-7-18(24-13-15)26-8-10-27(11-9-26)19(28)14-2-1-3-17(12-14)31(29,30)25-16-5-6-16/h1-4,7,12-13,16,25H,5-6,8-11H2