8-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]sulfonylquinoline

Systemtic Name: 8-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]sulfonylquinoline Openeye Name: 8-[[(3S)-3-pyrimidin-4-yl-1-piperidyl]sulfonyl]quinoline CAS Name: 8-[[(3S)-3-(4-pyrimidinyl)-1-piperidinyl]sulfonyl]quinoline IUPAC Name: 8-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]sulfonylquinoline Traditional Name: 8-[(3S)-3-(4-pyrimidyl)piperidino]sulfonylquinoline Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC=NC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC=NC=C4

InChI

InChI=1S/C18H18N4O2S/c23-25(24,17-7-1-4-14-5-2-9-20-18(14)17)22-11-3-6-15(12-22)16-8-10-19-13-21-16/h1-2,4-5,7-10,13,15H,3,6,11-12H2/t15-/m0/s1