3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C21H26N2O4S2/c1-13-11-14(2)21(16(4)24)15(3)19(13)12-28-10-9-20(25)23-17-5-7-18(8-6-17)29(22,26)27/h5-8,11H,9-10,12H2,1-4H3,(H,23,25)(H2,22,26,27)