2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H26N2O4S2/c1-16-10-17(2)12-18(11-16)14-28-15-21(24)22-19-4-3-5-20(13-19)29(25,26)23-6-8-27-9-7-23/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,22,24)