N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-(3,5-dimethylphenyl)-4-(methylthio)-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-(3,5-dimethylphenyl)-4-(methylthio)-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCOCC3)C

InChI

InChI=1S/C20H24N2O4S2/c1-14-10-15(2)12-16(11-14)21-28(24,25)17-4-5-19(27-3)18(13-17)20(23)22-6-8-26-9-7-22/h4-5,10-13,21H,6-9H2,1-3H3