3-(5-fluoranyl-1H-indol-3-yl)-2-[[5-(4-pyrrolidin-1-ylphenyl)thiophen-2-yl]sulfonylamino]propanoic acid

Systemtic Name: 3-(5-fluoranyl-1H-indol-3-yl)-2-[[5-(4-pyrrolidin-1-ylphenyl)thiophen-2-yl]sulfonylamino]propanoic acid Openeye Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[5-(4-pyrrolidin-1-ylphenyl)-2-thienyl]sulfonylamino]propanoic acid CAS Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[5-[4-(1-pyrrolidinyl)phenyl]-2-thiophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[5-(4-pyrrolidin-1-ylphenyl)thiophen-2-yl]sulfonylamino]propanoic acid Traditional Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[5-(4-pyrrolidinophenyl)-2-thienyl]sulfonylamino]propionic acid Formula: C25H24FN3O4S2 MolecularWeight: 513.604163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=CC=C(S3)S(=O)(=O)NC(CC4=CNC5=C4C=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=CC=C(S3)S(=O)(=O)NC(CC4=CNC5=C4C=C(C=C5)F)C(=O)O

InChI

InChI=1S/C25H24FN3O4S2/c26-18-5-8-21-20(14-18)17(15-27-21)13-22(25(30)31)28-35(32,33)24-10-9-23(34-24)16-3-6-19(7-4-16)29-11-1-2-12-29/h3-10,14-15,22,27-28H,1-2,11-13H2,(H,30,31)