2-[(4-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(p-tolylmethylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-17-8-10-18(11-9-17)15-27-16-21(24)22-19-6-5-7-20(14-19)28(25,26)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,22,24)