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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3-methoxypropyl)-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3-methoxypropyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(3-methoxypropyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3-methoxypropyl)-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27N5O4S2/c1-28-13-5-12-24-18(21-22-19(24)29-14-17(20)25)15-6-8-16(9-7-15)30(26,27)23-10-3-2-4-11-23/h6-9H,2-5,10-14H2,1H3,(H2,20,25)