3-[4-[2-methyl-5-(propylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[4-[2-methyl-5-(propylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-[2-methyl-5-(propylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[4-[2-methyl-5-[[oxo(propylamino)methyl]amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-[2-methyl-5-(propylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 2-(mesitylsulfonylamino)-3-[4-[2-methyl-5-(propylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C29H35N3O5S MolecularWeight: 537.6703

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC(=C(C=C1)C)C2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCNC(=O)NC1=CC(=C(C=C1)C)C2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C29H35N3O5S/c1-6-13-30-29(35)31-24-12-7-19(3)25(17-24)23-10-8-22(9-11-23)16-26(28(33)34)32-38(36,37)27-20(4)14-18(2)15-21(27)5/h7-12,14-15,17,26,32H,6,13,16H2,1-5H3,(H,33,34)(H2,30,31,35)