4-[4-(1-pyrimidin-2-ylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-pyrimidin-2-ylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[1-(2-pyrimidinyl)-3-piperidinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(2-pyrimidyl)nipecotoyl]piperazino]sulfonylbenzonitrile Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H24N6O3S/c22-15-17-4-6-19(7-5-17)31(29,30)27-13-11-25(12-14-27)20(28)18-3-1-10-26(16-18)21-23-8-2-9-24-21/h2,4-9,18H,1,3,10-14,16H2