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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O3S2/c22-17-9-6-15(12-18(17)32(29,30)26-10-2-1-3-11-26)23-19(28)13-31-21-25-24-20(14-4-5-14)27(21)16-7-8-16/h6,9,12,14,16H,1-5,7-8,10-11,13H2,(H,23,28)