3-[3-[[(4-phenylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[(4-phenylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-phenylphenyl)methyl-(2-pyridylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[(4-phenylphenyl)methyl-(2-pyridinylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-phenylphenyl)methyl-pyridin-2-ylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-phenylbenzyl)-(2-pyridylsulfonyl)amino]methyl]phenyl]propionic acid Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CCC(=O)O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CCC(=O)O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C28H26N2O4S/c31-28(32)17-14-22-7-6-8-24(19-22)21-30(35(33,34)27-11-4-5-18-29-27)20-23-12-15-26(16-13-23)25-9-2-1-3-10-25/h1-13,15-16,18-19H,14,17,20-21H2,(H,31,32)