2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-[2-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-methyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-piperidinophenyl)acetamide Formula: C26H32N6O3S2 MolecularWeight: 540.70068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2N3CCCCC3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2N3CCCCC3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H32N6O3S2/c1-30-25(20-11-13-21(14-12-20)37(34,35)32-17-7-8-18-32)28-29-26(30)36-19-24(33)27-22-9-3-4-10-23(22)31-15-5-2-6-16-31/h3-4,9-14H,2,5-8,15-19H2,1H3,(H,27,33)