2-[[3-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[3-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[3-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[3-[3-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[3-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H20N4O5S/c26-20(27)14-24-31(29,30)19-8-2-6-17(11-19)16-5-1-7-18(10-16)25-21(28)23-13-15-4-3-9-22-12-15/h1-12,24H,13-14H2,(H,26,27)(H2,23,25,28)