3-[3-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfonyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfonyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[3-[(3-ureidobenzoyl)amino]phenyl]sulfonyl-propanoic acid CAS Name: 3-[3-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]phenyl]sulfonyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[3-(carbamoylamino)benzoyl]amino]phenyl]sulfonyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[3-[(3-ureidobenzoyl)amino]phenyl]sulfonyl-propionic acid Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H20N4O6S/c23-22(30)26-16-6-1-4-14(10-16)21(29)25-17-7-2-8-18(11-17)33(31,32)19(12-20(27)28)15-5-3-9-24-13-15/h1-11,13,19H,12H2,(H,25,29)(H,27,28)(H3,23,26,30)