2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H31N5O3S2/c1-2-27-21(23-24-22(27)31-17-20(28)25-13-5-3-6-14-25)18-9-11-19(12-10-18)32(29,30)26-15-7-4-8-16-26/h9-12H,2-8,13-17H2,1H3