N-[3,4-bis(fluoranyl)phenyl]-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-(3,4-difluorophenyl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-(3,4-difluorophenyl)-4-(methylthio)-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-(3,4-difluorophenyl)-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-(3,4-difluorophenyl)-4-(methylthio)-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C18H18F2N2O4S2 MolecularWeight: 428.473326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)F)C(=O)N3CCOCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)F)C(=O)N3CCOCC3

InChI

InChI=1S/C18H18F2N2O4S2/c1-27-17-5-3-13(11-14(17)18(23)22-6-8-26-9-7-22)28(24,25)21-12-2-4-15(19)16(20)10-12/h2-5,10-11,21H,6-9H2,1H3