3-[2-methyl-5-(5-methylsulfonyl-2-phenylmethoxy-phenyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-methyl-5-(5-methylsulfonyl-2-phenylmethoxy-phenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-methylsulfonyl-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-5-(5-methylsulfonyl-2-phenylmethoxyphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-(5-methylsulfonyl-2-phenylmethoxyphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-mesyl-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO5S/c1-18-11-13-24(27(18)21-10-6-9-20(15-21)26(28)29)23-16-22(33(2,30)31)12-14-25(23)32-17-19-7-4-3-5-8-19/h3-16H,17H2,1-2H3,(H,28,29)