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

Systemtic Name: 3-(5-fluoranyl-1H-indol-3-yl)-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[4-[4-(1-pyrrolidinyl)phenyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[4-(4-pyrrolidinophenyl)phenyl]sulfonylamino]propionic acid Formula: C27H26FN3O4S MolecularWeight: 507.576443

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26FN3O4S/c28-21-7-12-25-24(16-21)20(17-29-25)15-26(27(32)33)30-36(34,35)23-10-5-19(6-11-23)18-3-8-22(9-4-18)31-13-1-2-14-31/h3-12,16-17,26,29-30H,1-2,13-15H2,(H,32,33)