N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-(o-tolylthio)acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-16-8-4-5-9-19(16)28-15-21(24)22-17-10-11-18(27-2)20(14-17)29(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)