4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C19H21ClF3N5O2S MolecularWeight: 475.91555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C19H21ClF3N5O2S/c20-15-4-3-14(19(21,22)23)11-16(15)31(29,30)28-9-7-27(8-10-28)18-12-17(24-13-25-18)26-5-1-2-6-26/h3-4,11-13H,1-2,5-10H2