N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-phenethylsulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-phenethylsulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2-phenethylsulfanyl-acetamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-(phenethylthio)acetamide IUPAC Name: N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-phenethylsulfanylacetamide Traditional Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2-(phenethylthio)acetamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S2/c1-27-20-8-7-18(30(25,26)23-10-12-28-13-11-23)15-19(20)22-21(24)16-29-14-9-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,22,24)