4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H24N6O3S/c22-16-17-2-4-19(5-3-17)31(29,30)27-10-6-18(7-11-27)20(28)25-12-14-26(15-13-25)21-23-8-1-9-24-21/h1-5,8-9,18H,6-7,10-15H2