N-[2-[4-(3-chlorophenyl)-5-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)-5-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(3-chlorophenyl)-5-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(3-chlorophenyl)-5-[[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(3-chlorophenyl)-5-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(3-chlorophenyl)-5-[[2-keto-2-(4-piperidinosulfonylphenyl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C25H28ClN5O4S2 MolecularWeight: 562.10392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H28ClN5O4S2/c1-18(32)27-13-12-24-28-29-25(31(24)21-7-5-6-20(26)16-21)36-17-23(33)19-8-10-22(11-9-19)37(34,35)30-14-3-2-4-15-30/h5-11,16H,2-4,12-15,17H2,1H3,(H,27,32)