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

Systemtic Name: 4-[4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(4-pyridyl)isonipecotoyl]piperazino]sulfonylbenzonitrile Formula: C22H25N5O3S MolecularWeight: 439.5306

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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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c23-17-18-1-3-21(4-2-18)31(29,30)27-15-13-26(14-16-27)22(28)19-7-11-25(12-8-19)20-5-9-24-10-6-20/h1-6,9-10,19H,7-8,11-16H2