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

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C23H33N5O3S2 MolecularWeight: 491.66982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5O3S2/c1-2-28-22(24-25-23(28)32-18-21(29)26-14-6-5-7-15-26)19-10-12-20(13-11-19)33(30,31)27-16-8-3-4-9-17-27/h10-13H,2-9,14-18H2,1H3