2-[3-[[(4-phenoxyphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-phenoxyphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-phenoxyphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-phenoxyphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-phenoxyphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-phenoxybenzyl)-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H24N2O5S/c30-27(31)17-22-6-4-7-23(16-22)20-29(35(32,33)26-10-5-15-28-18-26)19-21-11-13-25(14-12-21)34-24-8-2-1-3-9-24/h1-16,18H,17,19-20H2,(H,30,31)