N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H26ClN5O3S2 MolecularWeight: 496.04584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C21H26ClN5O3S2/c22-17-9-8-16(32(29,30)26-10-2-1-3-11-26)12-18(17)23-19(28)13-31-21-25-24-20(14-4-5-14)27(21)15-6-7-15/h8-9,12,14-15H,1-7,10-11,13H2,(H,23,28)