N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(p-tolylsulfonylamino)phenyl]sulfanyl-propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-(tosylamino)phenyl]thio]propionamide Formula: C22H20BrFN2O3S2 MolecularWeight: 523.438203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H20BrFN2O3S2/c1-14-3-10-19(11-4-14)31(28,29)26-17-6-8-18(9-7-17)30-15(2)22(27)25-21-12-5-16(23)13-20(21)24/h3-13,15,26H,1-2H3,(H,25,27)