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

Systemtic Name: 3-[3-[[(4-pyridin-3-ylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[[4-(3-pyridyl)phenyl]methyl-(2-pyridylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(3-pyridinyl)phenyl]methyl-(2-pyridinylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyridin-3-ylphenyl)methyl-pyridin-2-ylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[[4-(3-pyridyl)benzyl]-(2-pyridylsulfonyl)amino]methyl]phenyl]propionic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C27H25N3O4S/c31-27(32)14-11-21-5-3-6-23(17-21)20-30(35(33,34)26-8-1-2-16-29-26)19-22-9-12-24(13-10-22)25-7-4-15-28-18-25/h1-10,12-13,15-18H,11,14,19-20H2,(H,31,32)