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

Systemtic Name: 3-[3-[[phenylsulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl-[[4-(3-pyridyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl-[[4-(3-pyridinyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl-[4-(3-pyridyl)benzyl]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)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CN=CC=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=CC=C3)CC4=CC=CC(=C4)CCC(=O)O

InChI

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