N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-[(3-ethanoylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-[(3-ethanoylphenyl)sulfonylamino]propanamide Openeye Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(5-bromo-2-fluoro-phenyl)methyl]propanamide CAS Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(5-bromo-2-fluorophenyl)methyl]propanamide IUPAC Name: 3-[(3-acetylphenyl)sulfonylamino]-N-[(5-bromo-2-fluorophenyl)methyl]propanamide Traditional Name: 3-[(3-acetylphenyl)sulfonylamino]-N-(5-bromo-2-fluoro-benzyl)propionamide Formula: C18H18BrFN2O4S MolecularWeight: 457.313923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H18BrFN2O4S/c1-12(23)13-3-2-4-16(10-13)27(25,26)22-8-7-18(24)21-11-14-9-15(19)5-6-17(14)20/h2-6,9-10,22H,7-8,11H2,1H3,(H,21,24)