4-cyano-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]benzamide

Systemtic Name: 4-cyano-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]benzamide Openeye Name: 4-cyano-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: 4-cyano-N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]benzamide IUPAC Name: 4-cyano-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]benzamide Traditional Name: 4-cyano-N-[2-(1-tosyl-2-piperidyl)ethyl]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3S/c1-17-5-11-21(12-6-17)29(27,28)25-15-3-2-4-20(25)13-14-24-22(26)19-9-7-18(16-23)8-10-19/h5-12,20H,2-4,13-15H2,1H3,(H,24,26)