3-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]-2-phenoxy-propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]-2-phenoxy-propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(3-pyridylsulfonyl)amino]-2-phenoxy-propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-(3-pyridinylsulfonyl)amino]-2-phenoxypropanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]-2-phenoxypropanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(3-pyridylsulfonyl)amino]-2-phenoxy-propionic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-25(2,3)20-13-11-19(12-14-20)17-27(33(30,31)22-10-7-15-26-16-22)18-23(24(28)29)32-21-8-5-4-6-9-21/h4-16,23H,17-18H2,1-3H3,(H,28,29)