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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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