N-(3-piperidin-1-ylsulfonylphenyl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(2,4,6-trimethylphenyl)sulfanyl-acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-[(2,4,6-trimethylphenyl)thio]acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide Traditional Name: 2-(mesitylthio)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C22H28N2O3S2/c1-16-12-17(2)22(18(3)13-16)28-15-21(25)23-19-8-7-9-20(14-19)29(26,27)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11,15H2,1-3H3,(H,23,25)