4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-methyl-3-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)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-20-5-10-23(17-24(20)33(31,32)29-11-3-2-4-12-29)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