4-[[4-[3-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-[(3S)-3-methylpiperidino]sulfonylbenzoyl]piperazino]methyl]benzonitrile Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N4O3S/c1-20-4-3-11-29(18-20)33(31,32)24-6-2-5-23(16-24)25(30)28-14-12-27(13-15-28)19-22-9-7-21(17-26)8-10-22/h2,5-10,16,20H,3-4,11-15,18-19H2,1H3/t20-/m0/s1