3-[3-[[phenylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[phenylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl-[4-(2-pyrimidyl)benzyl]amino]methyl]phenyl]propionic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=NC=CC=N3)CC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=NC=CC=N3)CC4=CC=CC(=C4)CCC(=O)O

InChI

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