N-(2-ethyl-6-methyl-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H27N3O3S2/c1-3-17-9-7-8-16(2)21(17)23-19(25)15-28-20-11-10-18(14-22-20)29(26,27)24-12-5-4-6-13-24/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,23,25)