2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C27H26FN5O3S2 MolecularWeight: 551.655443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN5O3S2/c28-21-14-12-20(13-15-21)26-30-31-27(33(26)23-9-3-1-4-10-23)37-19-25(34)29-22-8-7-11-24(18-22)38(35,36)32-16-5-2-6-17-32/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,29,34)