2-[2-bromanyl-3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid

Systemtic Name: 2-[2-bromanyl-3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid Openeye Name: 2-[2-bromo-3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid CAS Name: 2-[2-bromo-3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-indolyl]propanoic acid IUPAC Name: 2-[2-bromo-3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid Traditional Name: 2-[2-bromo-3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]indol-1-yl]propionic acid Formula: C19H18BrFN2O4S MolecularWeight: 469.324623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=CC=CC=C2C(=C1Br)CCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)O)N1C2=CC=CC=C2C(=C1Br)CCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18BrFN2O4S/c1-12(19(24)25)23-17-5-3-2-4-15(17)16(18(23)20)10-11-22-28(26,27)14-8-6-13(21)7-9-14/h2-9,12,22H,10-11H2,1H3,(H,24,25)