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

Systemtic Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-ethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-ethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-ethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H29N5O4S2/c1-2-26-20(22-23-21(26)31-16-19(27)24-12-14-30-15-13-24)17-6-8-18(9-7-17)32(28,29)25-10-4-3-5-11-25/h6-9H,2-5,10-16H2,1H3