2-[4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H28N4O4S/c1-19(30)20-6-8-23(9-7-20)27-14-16-28(17-15-27)25(31)21-10-12-29(13-11-21)34(32,33)24-5-3-2-4-22(24)18-26/h2-9,21H,10-17H2,1H3