4-[4-(1-pyrimidin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-pyrimidin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-pyrimidin-4-ylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[1-(4-pyrimidinyl)-4-piperidinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-pyrimidin-4-ylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(4-pyrimidyl)isonipecotoyl]piperazino]sulfonylbenzonitrile Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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