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

Systemtic Name: 2-[[4-ethyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H31N5O3S2 MolecularWeight: 477.64324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H31N5O3S2/c1-3-27-21(18-6-8-19(9-7-18)32(29,30)26-12-4-5-13-26)23-24-22(27)31-16-20(28)25-14-10-17(2)11-15-25/h6-9,17H,3-5,10-16H2,1-2H3