3-phenyl-3-[3-[[3-(pyridin-2-ylamino)phenyl]carbonylamino]phenyl]sulfonyl-propanoic acid

Systemtic Name: 3-phenyl-3-[3-[[3-(pyridin-2-ylamino)phenyl]carbonylamino]phenyl]sulfonyl-propanoic acid Openeye Name: 3-phenyl-3-[3-[[3-(2-pyridylamino)benzoyl]amino]phenyl]sulfonyl-propanoic acid CAS Name: 3-[3-[[oxo-[3-(2-pyridinylamino)phenyl]methyl]amino]phenyl]sulfonyl-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[3-[[3-(pyridin-2-ylamino)benzoyl]amino]phenyl]sulfonylpropanoic acid Traditional Name: 3-phenyl-3-[3-[[3-(2-pyridylamino)benzoyl]amino]phenyl]sulfonyl-propionic acid Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)NC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)NC4=CC=CC=N4

InChI

InChI=1S/C27H23N3O5S/c31-26(32)18-24(19-8-2-1-3-9-19)36(34,35)23-13-7-12-22(17-23)30-27(33)20-10-6-11-21(16-20)29-25-14-4-5-15-28-25/h1-17,24H,18H2,(H,28,29)(H,30,33)(H,31,32)