2-[3-[[(4-tert-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-tert-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-tert-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-tert-butylbenzyl)-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenoxy]acetic acid Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-24(2,3)20-10-8-18(9-11-20)13-27(33(30,31)22-15-26(4)17-25-22)14-19-6-5-7-21(12-19)32-16-23(28)29/h5-12,15,17H,13-14,16H2,1-4H3,(H,28,29)