3-[5-[(4-fluorophenyl)sulfonylamino]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN(C3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN(C3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CCC(=O)O

InChI

InChI=1S/C23H20FN3O4S/c24-18-3-6-20(7-4-18)32(30,31)26-19-5-8-22-21(13-19)17(12-16-2-1-10-25-14-16)15-27(22)11-9-23(28)29/h1-8,10,13-15,26H,9,11-12H2,(H,28,29)