3-[3-[[phenylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[phenylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl-[[4-(5-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl-[4-(5-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=CN=CN=C3)CC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

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

InChI

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