1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]butan-1-one

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]butan-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]butan-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3-indolyl]-1-butanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]butan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-4-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]butan-1-one Formula: C27H26F3N5O3S MolecularWeight: 557.58725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H26F3N5O3S/c28-27(29,30)21-7-4-8-22(18-21)39(37,38)35-19-20(23-9-1-2-10-24(23)35)6-3-11-25(36)33-14-16-34(17-15-33)26-31-12-5-13-32-26/h1-2,4-5,7-10,12-13,18-19H,3,6,11,14-17H2