N-(4-methylphenyl)-2-[methyl-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]amino]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[methyl-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]amino]ethanamide Openeye Name: 2-[methyl-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]-N-(p-tolyl)acetamide CAS Name: 2-[methyl-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]-N-(4-methylphenyl)acetamide IUPAC Name: N-(4-methylphenyl)-2-[methyl-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: 2-[methyl-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]-N-(p-tolyl)acetamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O4S2/c1-17-6-8-18(9-7-17)24-20(27)15-25(2)22(28)16-31-21-11-10-19(14-23-21)32(29,30)26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,24,27)