2-[(3-methylphenyl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(m-tolylmethylsulfanyl)acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-17-7-6-8-19(13-17)15-28-16-22(25)23-21-14-20(10-9-18(21)2)29(26,27)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15-16H2,1-2H3,(H,23,25)