2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-fluoro-1H-indol-3-yl)propionic acid Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=CC(=C3)F)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C21H19FN2O5S/c1-2-3-10-29-16-5-7-17(8-6-16)30(27,28)24-20(21(25)26)11-14-13-23-19-12-15(22)4-9-18(14)19/h4-9,12-13,20,23-24H,10-11H2,1H3,(H,25,26)