2-[[4-azanyl-6-(furan-2-yl)-1,3,5-triazin-2-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[4-azanyl-6-(furan-2-yl)-1,3,5-triazin-2-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-amino-6-(2-furyl)-1,3,5-triazin-2-yl]sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[[4-amino-6-(2-furanyl)-1,3,5-triazin-2-yl]thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-amino-6-(furan-2-yl)-1,3,5-triazin-2-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-amino-6-(2-furyl)-s-triazin-2-yl]thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C20H21N5O4S2 MolecularWeight: 459.54184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC(=NC(=N3)N)C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC(=NC(=N3)N)C4=CC=CO4

InChI

InChI=1S/C20H21N5O4S2/c21-19-22-18(17-5-4-12-29-17)23-20(24-19)30-13-16(26)14-6-8-15(9-7-14)31(27,28)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,21,22,23,24)