2-[4-[2-[4-(phenylcarbonyl)piperidin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[4-(phenylcarbonyl)piperidin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-benzoyl-1-piperidyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(4-benzoyl-1-piperidinyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-benzoylpiperidino)acetyl]piperazino]sulfonylbenzonitrile Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H28N4O4S/c26-18-22-8-4-5-9-23(22)34(32,33)29-16-14-28(15-17-29)24(30)19-27-12-10-21(11-13-27)25(31)20-6-2-1-3-7-20/h1-9,21H,10-17,19H2