4-chloranyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C18H21ClF3N5O2S MolecularWeight: 463.90485

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=NC=CC=N3

InChI

InChI=1S/C18H21ClF3N5O2S/c19-16-4-3-14(13-15(16)18(20,21)22)30(28,29)25-7-2-8-26-9-11-27(12-10-26)17-23-5-1-6-24-17/h1,3-6,13,25H,2,7-12H2