4-[[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methyl-5-piperidinosulfonyl-benzoyl)piperazino]methyl]benzonitrile Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N4O3S/c1-20-5-10-23(33(31,32)29-11-3-2-4-12-29)17-24(20)25(30)28-15-13-27(14-16-28)19-22-8-6-21(18-26)7-9-22/h5-10,17H,2-4,11-16,19H2,1H3