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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-(4-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=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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