N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-phenethylsulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-phenethylsulfanyl-ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-phenethylsulfanyl-acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(phenethylthio)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-phenethylsulfanylacetamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-(phenethylthio)acetamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S2/c1-28-21-11-10-19(30(26,27)24-13-6-3-7-14-24)16-20(21)23-22(25)17-29-15-12-18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,23,25)