1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-4-(2-pyrimidinylamino)-1-butanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-4-(2-pyrimidylamino)butan-1-one Formula: C18H22FN5O3S MolecularWeight: 407.462383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC2=NC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC2=NC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H22FN5O3S/c19-15-4-1-5-16(14-15)28(26,27)24-12-10-23(11-13-24)17(25)6-2-7-20-18-21-8-3-9-22-18/h1,3-5,8-9,14H,2,6-7,10-13H2,(H,20,21,22)