4-[[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]piperazino]methyl]benzonitrile Formula: C24H27FN4O3S MolecularWeight: 470.559583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27FN4O3S/c25-22-7-9-23(10-8-22)33(31,32)29-11-1-2-21(18-29)24(30)28-14-12-27(13-15-28)17-20-5-3-19(16-26)4-6-20/h3-10,21H,1-2,11-15,17-18H2/t21-/m0/s1