2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]-1-(4-mesylpiperazino)ethanone Formula: C19H28N6O4S2 MolecularWeight: 468.59342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCCC4

InChI

InChI=1S/C19H28N6O4S2/c1-31(27,28)24-11-9-22(10-12-24)17(26)15-30-19-21-20-18(23-7-3-2-4-8-23)25(19)14-16-6-5-13-29-16/h5-6,13H,2-4,7-12,14-15H2,1H3