2-[4-[[2-butyl-3-[(4-methylphenyl)sulfonylamino]benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-3-[(4-methylphenyl)sulfonylamino]benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-3-(p-tolylsulfonylamino)benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-3-[(4-methylphenyl)sulfonylamino]-5-benzimidazolyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-3-[(4-methylphenyl)sulfonylamino]benzimidazol-5-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-3-(tosylamino)benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C33H33N3O5S MolecularWeight: 583.69722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1NS(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)CC4=CC=C(C=C4)OC(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1NS(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)CC4=CC=C(C=C4)OC(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H33N3O5S/c1-3-4-10-31-34-29-20-15-25(22-30(29)36(31)35-42(39,40)28-18-11-23(2)12-19-28)21-24-13-16-27(17-14-24)41-32(33(37)38)26-8-6-5-7-9-26/h5-9,11-20,22,32,35H,3-4,10,21H2,1-2H3,(H,37,38)