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

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

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