3-phenyl-2-[[4-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[4-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[4-[3-[[oxo(propylamino)methyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-phenyl-2-[[4-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]propionic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27N3O5S/c1-2-15-26-25(31)27-21-10-6-9-20(17-21)19-11-13-22(14-12-19)34(32,33)28-23(24(29)30)16-18-7-4-3-5-8-18/h3-14,17,23,28H,2,15-16H2,1H3,(H,29,30)(H2,26,27,31)