N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(tosylamino)propionamide Formula: C16H16BrFN2O3S MolecularWeight: 415.277243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H16BrFN2O3S/c1-11-2-5-13(6-3-11)24(22,23)19-9-8-16(21)20-15-7-4-12(17)10-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)