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

Systemtic Name: 3-[3-[[(4-tert-butylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-tert-butylphenyl)methyl-(2-pyridylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[(4-tert-butylphenyl)methyl-(2-pyridinylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-tert-butylphenyl)methyl-pyridin-2-ylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-tert-butylbenzyl)-(2-pyridylsulfonyl)amino]methyl]phenyl]propionic acid Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=N3

InChI

InChI=1S/C26H30N2O4S/c1-26(2,3)23-13-10-21(11-14-23)18-28(33(31,32)24-9-4-5-16-27-24)19-22-8-6-7-20(17-22)12-15-25(29)30/h4-11,13-14,16-17H,12,15,18-19H2,1-3H3,(H,29,30)